N-(1H-benzimidazol-2-yl)-3-phenylbutanamide

C17H17N3O — CID 4563723

IUPACN-(1H-benzimidazol-2-yl)-3-phenylbutanamide
SMILESCC(CC(=O)Nc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-12(13-7-3-2-4-8-13)11-16(21)20-17-18-14-9-5-6-10-15(14)19-17/h2-10,12H,11H2,1H3,(H2,18,19,20,21)
InChIKeyORYMFWXZSDVZSP-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.70
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-3-phenylbutanamide

N-(1H-benzimidazol-2-yl)-3-phenylbutanamide (PubChem CID 4563723) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-phenylbutanamide
PubChem CID4563723
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(1H-benzimidazol-2-yl)-3-phenylbutanamide
SMILESCC(CC(=O)Nc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-12(13-7-3-2-4-8-13)11-16(21)20-17-18-14-9-5-6-10-15(14)19-17/h2-10,12H,11H2,1H3,(H2,18,19,20,21)
InChIKeyORYMFWXZSDVZSP-UHFFFAOYSA-N
XLogP3.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-phenylbutanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-phenylbutanamide (CID 4563723) is N-(1H-benzimidazol-2-yl)-3-phenylbutanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-phenylbutanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-phenylbutanamide is CC(CC(=O)Nc1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-phenylbutanamide?
The InChIKey is ORYMFWXZSDVZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(13-7-3-2-4-8-13)11-16(21)20-17-18-14-9-5-6-10-15(14)19-17/h2-10,12H,11H2,1H3,(H2,18,19,20,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-phenylbutanamide?
N-(1H-benzimidazol-2-yl)-3-phenylbutanamide has a molecular weight of 279.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-phenylbutanamide is sourced from PubChem (CID 4563723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).