N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide

C18H18N4O2 — CID 51309089

IUPACN-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H18N4O2/c23-16(22-18-20-14-8-4-5-9-15(14)21-18)10-11-19-17(24)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,24)(H2,20,21,22,23)
InChIKeyKVWBRSSALFWFQH-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.25
Rot. Bonds6

About N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide

N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 51309089) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
PubChem CID51309089
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H18N4O2/c23-16(22-18-20-14-8-4-5-9-15(14)21-18)10-11-19-17(24)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,24)(H2,20,21,22,23)
InChIKeyKVWBRSSALFWFQH-UHFFFAOYSA-N
XLogP2.25
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide (CID 51309089) is N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide is O=C(Cc1ccccc1)NCCC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is KVWBRSSALFWFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-16(22-18-20-14-8-4-5-9-15(14)21-18)10-11-19-17(24)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,24)(H2,20,21,22,23).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide?
N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 322.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 51309089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).