N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide

C22H25N3O — CID 18733508

IUPACN-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide
SMILESCCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccc(C)c1
InChIInChI=1S/C22H25N3O/c1-3-24(22(26)18-8-6-7-16(2)13-18)15-21-23-19-9-4-5-10-20(19)25(21)14-17-11-12-17/h4-10,13,17H,3,11-12,14-15H2,1-2H3
InChIKeyATYJMXYYNQYNBS-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.42
Rot. Bonds6

About N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide

N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide (PubChem CID 18733508) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide
PubChem CID18733508
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide
SMILESCCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccc(C)c1
InChIInChI=1S/C22H25N3O/c1-3-24(22(26)18-8-6-7-16(2)13-18)15-21-23-19-9-4-5-10-20(19)25(21)14-17-11-12-17/h4-10,13,17H,3,11-12,14-15H2,1-2H3
InChIKeyATYJMXYYNQYNBS-UHFFFAOYSA-N
XLogP4.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide
CID 18733805
N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 18734372
3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide
CID 18734222
N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide
CID 18733799
N-benzyl-2-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide;N-benzyl-2-bromo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-benzyl-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 158694843
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977702
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide
CID 18734097
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007291
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide
CID 18734004
3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18732892
N-[1-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967131
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 18733761

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide?
The IUPAC name of N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide (CID 18733508) is N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide?
The canonical SMILES for N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide is CCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccc(C)c1.
What is the InChIKey of N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide?
The InChIKey is ATYJMXYYNQYNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-3-24(22(26)18-8-6-7-16(2)13-18)15-21-23-19-9-4-5-10-20(19)25(21)14-17-11-12-17/h4-10,13,17H,3,11-12,14-15H2,1-2H3.
What are the key properties of N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide?
N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide has a molecular weight of 347.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 18733508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).