2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide

C16H19N3O2 — CID 167780321

IUPAC2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)C(C)=C3CCCC3)[nH]c2c1
InChIInChI=1S/C16H19N3O2/c1-10(11-5-3-4-6-11)15(20)19-16-17-13-8-7-12(21-2)9-14(13)18-16/h7-9H,3-6H2,1-2H3,(H2,17,18,19,20)
InChIKeyMTGYGFKXSGRRIX-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.40
Rot. Bonds3

About 2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide

2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide (PubChem CID 167780321) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide.

Molecular Properties

Compound Name2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide
PubChem CID167780321
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)C(C)=C3CCCC3)[nH]c2c1
InChIInChI=1S/C16H19N3O2/c1-10(11-5-3-4-6-11)15(20)19-16-17-13-8-7-12(21-2)9-14(13)18-16/h7-9H,3-6H2,1-2H3,(H2,17,18,19,20)
InChIKeyMTGYGFKXSGRRIX-UHFFFAOYSA-N
XLogP3.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate
CID 82562607
2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
CID 82562608
N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
methyl N-[6-(4-methoxyphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 11221181
N-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide
CID 59771103
[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 2-methoxybenzenesulfonate
CID 88844156
6-methoxy-N-(2-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562560
2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
CID 115413254
6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562561
N-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]acetamide
CID 18984570
1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
CID 142774094

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide?
The IUPAC name of 2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide (CID 167780321) is 2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide.
What is the SMILES notation for 2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide?
The canonical SMILES for 2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide is COc1ccc2nc(NC(=O)C(C)=C3CCCC3)[nH]c2c1.
What is the InChIKey of 2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide?
The InChIKey is MTGYGFKXSGRRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(11-5-3-4-6-11)15(20)19-16-17-13-8-7-12(21-2)9-14(13)18-16/h7-9H,3-6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide?
2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide has a molecular weight of 285.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide is sourced from PubChem (CID 167780321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).