N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propanamide

C17H17N3O2 — CID 2121895

IUPACN-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N3O2/c1-22-15-9-5-2-6-12(15)10-11-16(21)20-17-18-13-7-3-4-8-14(13)19-17/h2-9H,10-11H2,1H3,(H2,18,19,20,21)
InChIKeyFTVLALNOPSWOJU-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.14
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propanamide

N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propanamide (PubChem CID 2121895) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propanamide
PubChem CID2121895
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N3O2/c1-22-15-9-5-2-6-12(15)10-11-16(21)20-17-18-13-7-3-4-8-14(13)19-17/h2-9H,10-11H2,1H3,(H2,18,19,20,21)
InChIKeyFTVLALNOPSWOJU-UHFFFAOYSA-N
XLogP3.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-
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2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole
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2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10423087
N-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 2536883
N-(1H-benzimidazol-2-yl)-2-methoxybenzamide
CID 854418
N-1H-Benzimidazol-2-yl-4-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propanamide (CID 2121895) is N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propanamide?
The InChIKey is FTVLALNOPSWOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-15-9-5-2-6-12(15)10-11-16(21)20-17-18-13-7-3-4-8-14(13)19-17/h2-9H,10-11H2,1H3,(H2,18,19,20,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propanamide?
N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propanamide has a molecular weight of 295.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 2121895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).