N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

C21H23N3O — CID 16975159

IUPACN-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
SMILESCc1cccc(Cn2c(CCNC(=O)C3CC3)nc3ccccc32)c1
InChIInChI=1S/C21H23N3O/c1-15-5-4-6-16(13-15)14-24-19-8-3-2-7-18(19)23-20(24)11-12-22-21(25)17-9-10-17/h2-8,13,17H,9-12,14H2,1H3,(H,22,25)
InChIKeyQYGADYWCWQQGNI-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.46
Rot. Bonds6

About N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (PubChem CID 16975159) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
PubChem CID16975159
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
SMILESCc1cccc(Cn2c(CCNC(=O)C3CC3)nc3ccccc32)c1
InChIInChI=1S/C21H23N3O/c1-15-5-4-6-16(13-15)14-24-19-8-3-2-7-18(19)23-20(24)11-12-22-21(25)17-9-10-17/h2-8,13,17H,9-12,14H2,1H3,(H,22,25)
InChIKeyQYGADYWCWQQGNI-UHFFFAOYSA-N
XLogP3.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980386
4-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976528
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975173
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964253
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142
N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 17030481
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975148
1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878943
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981643
N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981724
2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992370
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981634

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (CID 16975159) is N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is Cc1cccc(Cn2c(CCNC(=O)C3CC3)nc3ccccc32)c1.
What is the InChIKey of N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is QYGADYWCWQQGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-5-4-6-16(13-15)14-24-19-8-3-2-7-18(19)23-20(24)11-12-22-21(25)17-9-10-17/h2-8,13,17H,9-12,14H2,1H3,(H,22,25).
What are the key properties of N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 333.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 16975159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).