(2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride

C75H65ClF9N11O9 — CID 158865006

IUPAC(2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride
SMILESCOC(=O)CCCN.Cl.Nc1nc2cc(CO)ccc2n1-c1ccccc1.O=C(Nc1nc2cc(CN3CCCC3=O)ccc2n1-c1ccccc1)c1cccc(C(F)(F)F)c1.O=C(O)c1cccc(C(F)(F)F)c1.O=Cc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2-c1ccccc1
InChIInChI=1S/C26H21F3N4O2.C22H14F3N3O2.C14H13N3O.C8H5F3O2.C5H11NO2.ClH/c27-26(28,29)19-7-4-6-18(15-19)24(35)31-25-30-21-14-17(16-32-13-5-10-23(32)34)11-12-22(21)33(25)20-8-2-1-3-9-20;23-22(24,25)16-6-4-5-15(12-16)20(30)27-21-26-18-11-14(13-29)9-10-19(18)28(21)17-7-2-1-3-8-17;15-14-16-12-8-10(9-18)6-7-13(12)17(14)11-4-2-1-3-5-11;9-8(10,11)6-3-1-2-5(4-6)7(12)13;1-8-5(7)3-2-4-6;/h1-4,6-9,11-12,14-15H,5,10,13,16H2,(H,30,31,35);1-13H,(H,26,27,30);1-8,18H,9H2,(H2,15,16);1-4H,(H,12,13);2-4,6H2,1H3;1H
InChIKeyTWAZQQVRIVAEPU-UHFFFAOYSA-N
MW1470.85 g/mol
LogP15.35
Rot. Bonds15

About (2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride

(2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride (PubChem CID 158865006) has the molecular formula C75H65ClF9N11O9 and a molecular weight of 1470.85 g/mol. Its IUPAC name is (2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride.

Molecular Properties

Compound Name(2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride
PubChem CID158865006
Molecular FormulaC75H65ClF9N11O9
Molecular Weight1470.85 g/mol
Exact Mass1469.45
IUPAC Name(2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride
SMILESCOC(=O)CCCN.Cl.Nc1nc2cc(CO)ccc2n1-c1ccccc1.O=C(Nc1nc2cc(CN3CCCC3=O)ccc2n1-c1ccccc1)c1cccc(C(F)(F)F)c1.O=C(O)c1cccc(C(F)(F)F)c1.O=Cc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2-c1ccccc1
InChIInChI=1S/C26H21F3N4O2.C22H14F3N3O2.C14H13N3O.C8H5F3O2.C5H11NO2.ClH/c27-26(28,29)19-7-4-6-18(15-19)24(35)31-25-30-21-14-17(16-32-13-5-10-23(32)34)11-12-22(21)33(25)20-8-2-1-3-9-20;23-22(24,25)16-6-4-5-15(12-16)20(30)27-21-26-18-11-14(13-29)9-10-19(18)28(21)17-7-2-1-3-8-17;15-14-16-12-8-10(9-18)6-7-13(12)17(14)11-4-2-1-3-5-11;9-8(10,11)6-3-1-2-5(4-6)7(12)13;1-8-5(7)3-2-4-6;/h1-4,6-9,11-12,14-15H,5,10,13,16H2,(H,30,31,35);1-13H,(H,26,27,30);1-8,18H,9H2,(H2,15,16);1-4H,(H,12,13);2-4,6H2,1H3;1H
InChIKeyTWAZQQVRIVAEPU-UHFFFAOYSA-N
XLogP15.35
TPSA284.91 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001470.85
LogP ≤ 515.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[3,5-bis(trifluoromethyl)phenyl]-1-[[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]amino]ethyl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole-5-carboxylic acid
CID 21023500
1-Cyclohexyl-2-[3-[[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515496
1-Cyclohexyl-2-[4-[[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515564
Methyl 4-[6-(hydroxymethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]cyclohexane-1-carboxylate
CID 68085101
[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]-[2-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-1-fluoroethyl]carbamic acid
CID 69270916
bis(2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-3H-benzimidazole-5-carboxylic acid);2,2,2-trifluoroacetic acid;dihydrate
CID 69838418
N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide;[6-[2-(cyclobutylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
CID 87760548
1-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]-3-[6-[2-(cyclobutylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]urea
CID 87760549
[6-[2-(3-chloro-2-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]-[1-[[6-[2-(3-chloro-2-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamoyloxy]-2,2,2-trifluoroethyl]carbamic acid
CID 87761591
[6-[2-(3-ethynyl-2-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]-[2-[[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamoyloxy]-1-piperidin-1-ylethyl]carbamic acid
CID 87761609
4-[[[5-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyl-ethylamino]-[5-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]carbamoyl]oxybut-2-ynyl-[5-[1-hydroxy-3-oxo-2-[3-(trifluoromethyl)phenyl]isoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
CID 87761643
N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide;[6-[2-(3-carbamoylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
CID 87761956

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride?
The IUPAC name of (2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride (CID 158865006) is (2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride.
What is the SMILES notation for (2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride?
The canonical SMILES for (2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride is COC(=O)CCCN.Cl.Nc1nc2cc(CO)ccc2n1-c1ccccc1.O=C(Nc1nc2cc(CN3CCCC3=O)ccc2n1-c1ccccc1)c1cccc(C(F)(F)F)c1.O=C(O)c1cccc(C(F)(F)F)c1.O=Cc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2-c1ccccc1.
What is the InChIKey of (2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride?
The InChIKey is TWAZQQVRIVAEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O2.C22H14F3N3O2.C14H13N3O.C8H5F3O2.C5H11NO2.ClH/c27-26(28,29)19-7-4-6-18(15-19)24(35)31-25-30-21-14-17(16-32-13-5-10-23(32)34)11-12-22(21)33(25)20-8-2-1-3-9-20;23-22(24,25)16-6-4-5-15(12-16)20(30)27-21-26-18-11-14(13-29)9-10-19(18)28(21)17-7-2-1-3-8-17;15-14-16-12-8-10(9-18)6-7-13(12)17(14)11-4-2-1-3-5-11;9-8(10,11)6-3-1-2-5(4-6)7(12)13;1-8-5(7)3-2-4-6;/h1-4,6-9,11-12,14-15H,5,10,13,16H2,(H,30,31,35);1-13H,(H,26,27,30);1-8,18H,9H2,(H2,15,16);1-4H,(H,12,13);2-4,6H2,1H3;1H.
What are the key properties of (2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride?
(2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride has a molecular weight of 1470.85 g/mol, XLogP of 15.35, 15 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-phenylbenzimidazol-5-yl)methanol;N-(5-formyl-1-phenylbenzimidazol-2-yl)-3-(trifluoromethyl)benzamide;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoic acid;hydrochloride is sourced from PubChem (CID 158865006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).