3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide

C26H28N4O3 — CID 126726413

IUPAC3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide
SMILESC[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CCN)c2c1
InChIInChI=1S/C26H28N4O3/c1-18(31)17-28-24(32)19-12-13-22-23(16-19)30(15-14-27)25(29-22)26(33,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,16,18,31,33H,14-15,17,27H2,1H3,(H,28,32)/t18-/m1/s1
InChIKeyIEQJYCPKOKHXNC-GOSISDBHSA-N
MW444.54 g/mol
LogP2.39
Rot. Bonds8

About 3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide

3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide (PubChem CID 126726413) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide
PubChem CID126726413
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide
SMILESC[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CCN)c2c1
InChIInChI=1S/C26H28N4O3/c1-18(31)17-28-24(32)19-12-13-22-23(16-19)30(15-14-27)25(29-22)26(33,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,16,18,31,33H,14-15,17,27H2,1H3,(H,28,32)/t18-/m1/s1
InChIKeyIEQJYCPKOKHXNC-GOSISDBHSA-N
XLogP2.39
TPSA113.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-N-[(2S)-3-fluoro-2-hydroxypropyl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726534
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2S)-2-hydroxy-3-methoxypropyl]benzimidazole-5-carboxamide
CID 126726531
3-ethyl-N-[(2R)-4-fluoro-2-hydroxy-4-methylpentyl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 135290976
N-(2-acetamidoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 118515855
3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]-N-[(2S)-2-hydroxypropyl]benzimidazole-5-carboxamide
CID 126726509
N-[N'-(ethyliminomethyl)carbamimidoyl]-2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)benzimidazole-5-carboxamide
CID 144962011
(2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide
CID 126726341
N-[N'-(ethyliminomethyl)carbamimidoyl]-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide
CID 144962002
2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-hydroxypentyl)-3-methylbenzimidazole-5-carboxamide
CID 126726529
3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide
CID 126726290
N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide
CID 83031665
3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-methylbenzamide
CID 126726288

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide (CID 126726413) is 3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide is C[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CCN)c2c1.
What is the InChIKey of 3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide?
The InChIKey is IEQJYCPKOKHXNC-GOSISDBHSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-18(31)17-28-24(32)19-12-13-22-23(16-19)30(15-14-27)25(29-22)26(33,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,16,18,31,33H,14-15,17,27H2,1H3,(H,28,32)/t18-/m1/s1.
What are the key properties of 3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide?
3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 2.39, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 126726413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).