N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide

C12H13N3O2 — CID 166218130

IUPACN-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide
SMILESCOc1nc2ccc(NC(=O)C3CC3)cc2[nH]1
InChIInChI=1S/C12H13N3O2/c1-17-12-14-9-5-4-8(6-10(9)15-12)13-11(16)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,16)(H,14,15)
InChIKeyYLAPWMWSBUPTDY-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.92
Rot. Bonds3

About N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide

N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide (PubChem CID 166218130) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide
PubChem CID166218130
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide
SMILESCOc1nc2ccc(NC(=O)C3CC3)cc2[nH]1
InChIInChI=1S/C12H13N3O2/c1-17-12-14-9-5-4-8(6-10(9)15-12)13-11(16)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,16)(H,14,15)
InChIKeyYLAPWMWSBUPTDY-UHFFFAOYSA-N
XLogP1.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide
CID 60851207
N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide
CID 84581323
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide
CID 166197291
N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide
CID 142169462
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide
CID 20694954
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 75450140
4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide
CID 112526211
4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide
CID 142813021
N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide
CID 112521544

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide (CID 166218130) is N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide is COc1nc2ccc(NC(=O)C3CC3)cc2[nH]1.
What is the InChIKey of N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide?
The InChIKey is YLAPWMWSBUPTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-12-14-9-5-4-8(6-10(9)15-12)13-11(16)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide?
N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide is sourced from PubChem (CID 166218130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).