1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide

C22H23N3O2 — CID 46976355

IUPAC1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2ccc3c(c2)ncn3C2CC2)C2CC2)cc1
InChIInChI=1S/C22H23N3O2/c1-27-18-9-4-15(5-10-18)21(14-2-3-14)24-22(26)16-6-11-20-19(12-16)23-13-25(20)17-7-8-17/h4-6,9-14,17,21H,2-3,7-8H2,1H3,(H,24,26)
InChIKeyJRGFDRXVBUKPRJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.26
Rot. Bonds6

About 1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide

1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 46976355) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID46976355
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2ccc3c(c2)ncn3C2CC2)C2CC2)cc1
InChIInChI=1S/C22H23N3O2/c1-27-18-9-4-15(5-10-18)21(14-2-3-14)24-22(26)16-6-11-20-19(12-16)23-13-25(20)17-7-8-17/h4-6,9-14,17,21H,2-3,7-8H2,1H3,(H,24,26)
InChIKeyJRGFDRXVBUKPRJ-UHFFFAOYSA-N
XLogP4.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
CID 46571976
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51085911
2-(4-chlorophenyl)-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 51688261
4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545772
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-morpholin-4-ylbenzamide
CID 92627391
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 38468848
N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 47015352
1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide
CID 92625898
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55470366

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide (CID 46976355) is 1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide is COc1ccc(C(NC(=O)c2ccc3c(c2)ncn3C2CC2)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is JRGFDRXVBUKPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-18-9-4-15(5-10-18)21(14-2-3-14)24-22(26)16-6-11-20-19(12-16)23-13-25(20)17-7-8-17/h4-6,9-14,17,21H,2-3,7-8H2,1H3,(H,24,26).
What are the key properties of 1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide?
1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 46976355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).