2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide

C16H16N4O2 — CID 164903398

IUPAC2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(N)n2C[C@@H](O)c1ccccc1
InChIInChI=1S/C16H16N4O2/c17-15(22)11-6-7-13-12(8-11)19-16(18)20(13)9-14(21)10-4-2-1-3-5-10/h1-8,14,21H,9H2,(H2,17,22)(H2,18,19)/t14-/m1/s1
InChIKeyYJVOEKRLTVZFNA-CQSZACIVSA-N
MW296.33 g/mol
LogP1.45
Rot. Bonds4

About 2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide

2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide (PubChem CID 164903398) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide
PubChem CID164903398
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(N)n2C[C@@H](O)c1ccccc1
InChIInChI=1S/C16H16N4O2/c17-15(22)11-6-7-13-12(8-11)19-16(18)20(13)9-14(21)10-4-2-1-3-5-10/h1-8,14,21H,9H2,(H2,17,22)(H2,18,19)/t14-/m1/s1
InChIKeyYJVOEKRLTVZFNA-CQSZACIVSA-N
XLogP1.45
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;dihydrobromide
CID 140862551
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine
CID 104591883
1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide
CID 122192066
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
1,2-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 87956901
2-amino-1-[(E)-4-(2-amino-7-methoxybenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxamide
CID 140862573
1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one
CID 21492519
2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol
CID 4918049
2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide
CID 11833693
2-amino-1-butylbenzimidazole-5-carboxylic acid
CID 91671806
1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide
CID 151845693

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide?
The IUPAC name of 2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide (CID 164903398) is 2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide?
The canonical SMILES for 2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)nc(N)n2C[C@@H](O)c1ccccc1.
What is the InChIKey of 2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide?
The InChIKey is YJVOEKRLTVZFNA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N4O2/c17-15(22)11-6-7-13-12(8-11)19-16(18)20(13)9-14(21)10-4-2-1-3-5-10/h1-8,14,21H,9H2,(H2,17,22)(H2,18,19)/t14-/m1/s1.
What are the key properties of 2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide?
2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 164903398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).