2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide

C21H23N3O2 — CID 69134414

IUPAC2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1cc(OCc2ccccc2)c2nc(C3CC3)n(C)c2c1
InChIInChI=1S/C21H23N3O2/c1-23(2)21(25)16-11-17-19(22-20(24(17)3)15-9-10-15)18(12-16)26-13-14-7-5-4-6-8-14/h4-8,11-12,15H,9-10,13H2,1-3H3
InChIKeyRURPYOUZJCTOTC-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.73
Rot. Bonds5

About 2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide

2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide (PubChem CID 69134414) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide
PubChem CID69134414
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1cc(OCc2ccccc2)c2nc(C3CC3)n(C)c2c1
InChIInChI=1S/C21H23N3O2/c1-23(2)21(25)16-11-17-19(22-20(24(17)3)15-9-10-15)18(12-16)26-13-14-7-5-4-6-8-14/h4-8,11-12,15H,9-10,13H2,1-3H3
InChIKeyRURPYOUZJCTOTC-UHFFFAOYSA-N
XLogP3.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole
CID 141096815
2-cyclopropyl-N,N,3-trimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
CID 69135071
N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide
CID 110766019
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
3-benzyl-7-[[(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-yl]oxy]-N,N,2-trimethylbenzimidazole-5-carboxamide
CID 169094155
3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide
CID 67455707
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
4-(dimethylcarbamoyl)-5-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzoic acid
CID 66611962
1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea
CID 110776249
4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide
CID 168879371
4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenoxy]methyl]-N,N-dimethylbenzamide
CID 168879327

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide (CID 69134414) is 2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide is CN(C)C(=O)c1cc(OCc2ccccc2)c2nc(C3CC3)n(C)c2c1.
What is the InChIKey of 2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide?
The InChIKey is RURPYOUZJCTOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-23(2)21(25)16-11-17-19(22-20(24(17)3)15-9-10-15)18(12-16)26-13-14-7-5-4-6-8-14/h4-8,11-12,15H,9-10,13H2,1-3H3.
What are the key properties of 2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide?
2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N,N,3-trimethyl-7-phenylmethoxybenzimidazole-5-carboxamide is sourced from PubChem (CID 69134414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).