N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride

C20H24Cl2N4O — CID 119615452

IUPACN-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
SMILESCc1nc2cc(C(=O)NC(CN)C3CC3)ccc2n1-c1ccccc1.Cl.Cl
InChIInChI=1S/C20H22N4O.2ClH/c1-13-22-17-11-15(20(25)23-18(12-21)14-7-8-14)9-10-19(17)24(13)16-5-3-2-4-6-16;;/h2-6,9-11,14,18H,7-8,12,21H2,1H3,(H,23,25);2*1H
InChIKeyVLTPGEULBQQCBD-UHFFFAOYSA-N
MW407.35 g/mol
LogP3.64
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride

N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride (PubChem CID 119615452) has the molecular formula C20H24Cl2N4O and a molecular weight of 407.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
PubChem CID119615452
Molecular FormulaC20H24Cl2N4O
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
SMILESCc1nc2cc(C(=O)NC(CN)C3CC3)ccc2n1-c1ccccc1.Cl.Cl
InChIInChI=1S/C20H22N4O.2ClH/c1-13-22-17-11-15(20(25)23-18(12-21)14-7-8-14)9-10-19(17)24(13)16-5-3-2-4-6-16;;/h2-6,9-11,14,18H,7-8,12,21H2,1H3,(H,23,25);2*1H
InChIKeyVLTPGEULBQQCBD-UHFFFAOYSA-N
XLogP3.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride 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

N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
CID 119612905
ethyl 3-hydroxy-2-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]propanoate
CID 136519748
2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
CID 119452060
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
CID 120652968
N-(2-amino-1-cyclopropylethyl)naphthalene-2-carboxamide
CID 65189109
N-[2-cyclopropyl-2-[(1,2-dimethylbenzimidazole-5-carbonyl)amino]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 60613963
N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide
CID 60600851
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 120948721
cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171317
2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide
CID 167929322

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride (CID 119615452) is N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride is Cc1nc2cc(C(=O)NC(CN)C3CC3)ccc2n1-c1ccccc1.Cl.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride?
The InChIKey is VLTPGEULBQQCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O.2ClH/c1-13-22-17-11-15(20(25)23-18(12-21)14-7-8-14)9-10-19(17)24(13)16-5-3-2-4-6-16;;/h2-6,9-11,14,18H,7-8,12,21H2,1H3,(H,23,25);2*1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride has a molecular weight of 407.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119615452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).