4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide

C19H22N4O2 — CID 120563260

IUPAC4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide
SMILESCOc1cccc(-n2c(NC(=O)CCC(C)N)nc3ccccc32)c1
InChIInChI=1S/C19H22N4O2/c1-13(20)10-11-18(24)22-19-21-16-8-3-4-9-17(16)23(19)14-6-5-7-15(12-14)25-2/h3-9,12-13H,10-11,20H2,1-2H3,(H,21,22,24)
InChIKeyPYHYWWHIIHZIIZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.10
Rot. Bonds6

About 4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide

4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide (PubChem CID 120563260) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide
PubChem CID120563260
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide
SMILESCOc1cccc(-n2c(NC(=O)CCC(C)N)nc3ccccc32)c1
InChIInChI=1S/C19H22N4O2/c1-13(20)10-11-18(24)22-19-21-16-8-3-4-9-17(16)23(19)14-6-5-7-15(12-14)25-2/h3-9,12-13H,10-11,20H2,1-2H3,(H,21,22,24)
InChIKeyPYHYWWHIIHZIIZ-UHFFFAOYSA-N
XLogP3.10
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119939723
(3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide
CID 99811453
4-amino-N-(1-cyclohexylbenzimidazol-2-yl)pentanamide;hydrochloride
CID 120560614
2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide
CID 167760893
(2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635454
2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride
CID 119800349
1-(3-butan-2-yloxyphenyl)benzimidazol-2-amine
CID 62327553
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119800355
N-[(3-methoxyphenyl)methyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 40550616
2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide
CID 56789277
3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide
CID 119678530

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide?
The IUPAC name of 4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide (CID 120563260) is 4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide.
What is the SMILES notation for 4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide?
The canonical SMILES for 4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide is COc1cccc(-n2c(NC(=O)CCC(C)N)nc3ccccc32)c1.
What is the InChIKey of 4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide?
The InChIKey is PYHYWWHIIHZIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(20)10-11-18(24)22-19-21-16-8-3-4-9-17(16)23(19)14-6-5-7-15(12-14)25-2/h3-9,12-13H,10-11,20H2,1-2H3,(H,21,22,24).
What are the key properties of 4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide?
4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide has a molecular weight of 338.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide is sourced from PubChem (CID 120563260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).