3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide

C18H23N3O — CID 113081625

IUPAC3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2nc3c(n2C)CCCC3)cc1C
InChIInChI=1S/C18H23N3O/c1-12-8-9-14(10-13(12)2)18(22)19-11-17-20-15-6-4-5-7-16(15)21(17)3/h8-10H,4-7,11H2,1-3H3,(H,19,22)
InChIKeyFTIVXQUQEQDVPV-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.85
Rot. Bonds3

About 3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide

3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide (PubChem CID 113081625) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
PubChem CID113081625
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2nc3c(n2C)CCCC3)cc1C
InChIInChI=1S/C18H23N3O/c1-12-8-9-14(10-13(12)2)18(22)19-11-17-20-15-6-4-5-7-16(15)21(17)3/h8-10H,4-7,11H2,1-3H3,(H,19,22)
InChIKeyFTIVXQUQEQDVPV-UHFFFAOYSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
CID 113081619
3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277173
1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea
CID 113081661
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3,4-dimethyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 96545359
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3,4-dimethylbenzamide
CID 19329054
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
CID 113081747
3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
CID 110714591
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108574747
3-(3-fluorophenyl)-3-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methylamino]propanoic acid
CID 166263935
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 110739109

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide (CID 113081625) is 3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2nc3c(n2C)CCCC3)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide?
The InChIKey is FTIVXQUQEQDVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-8-9-14(10-13(12)2)18(22)19-11-17-20-15-6-4-5-7-16(15)21(17)3/h8-10H,4-7,11H2,1-3H3,(H,19,22).
What are the key properties of 3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide?
3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide has a molecular weight of 297.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 113081625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).