3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid

C19H19N3O4 — CID 166434630

IUPAC3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid
SMILESO=C(O)CC(CO)CC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C19H19N3O4/c23-11-13(9-19(25)26)8-18(24)21-14-6-7-17-16(10-14)20-12-22(17)15-4-2-1-3-5-15/h1-7,10,12-13,23H,8-9,11H2,(H,21,24)(H,25,26)
InChIKeyFNADTPCNIVXNPN-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.44
Rot. Bonds7

About 3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid

3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid (PubChem CID 166434630) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid
PubChem CID166434630
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid
SMILESO=C(O)CC(CO)CC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C19H19N3O4/c23-11-13(9-19(25)26)8-18(24)21-14-6-7-17-16(10-14)20-12-22(17)15-4-2-1-3-5-15/h1-7,10,12-13,23H,8-9,11H2,(H,21,24)(H,25,26)
InChIKeyFNADTPCNIVXNPN-UHFFFAOYSA-N
XLogP2.44
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide
CID 167894502
N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide
CID 121080165
2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide
CID 168521648
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
3-[5-[(5-chloro-2-hydroxybenzoyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 67353362
3-[5-[(2-methylbenzoyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 67353581
N-[1-(2-methoxyphenyl)benzimidazol-5-yl]butanamide
CID 2974525
3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 67353897
N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide
CID 147075477
phenyl N-[4-(5-ethoxybenzimidazol-1-yl)phenyl]carbamate
CID 174930301
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid?
The IUPAC name of 3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid (CID 166434630) is 3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid.
What is the SMILES notation for 3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid?
The canonical SMILES for 3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid is O=C(O)CC(CO)CC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid?
The InChIKey is FNADTPCNIVXNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-11-13(9-19(25)26)8-18(24)21-14-6-7-17-16(10-14)20-12-22(17)15-4-2-1-3-5-15/h1-7,10,12-13,23H,8-9,11H2,(H,21,24)(H,25,26).
What are the key properties of 3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid?
3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid has a molecular weight of 353.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid is sourced from PubChem (CID 166434630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).