3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide

C17H21N3O3 — CID 113081493

IUPAC3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2nc3c([nH]2)CCCC3)cc1OC
InChIInChI=1S/C17H21N3O3/c1-22-14-8-7-11(9-15(14)23-2)17(21)18-10-16-19-12-5-3-4-6-13(12)20-16/h7-9H,3-6,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyZVIVIWIYWYGLKU-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.24
Rot. Bonds5

About 3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide

3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide (PubChem CID 113081493) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide
PubChem CID113081493
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2nc3c([nH]2)CCCC3)cc1OC
InChIInChI=1S/C17H21N3O3/c1-22-14-8-7-11(9-15(14)23-2)17(21)18-10-16-19-12-5-3-4-6-13(12)20-16/h7-9H,3-6,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyZVIVIWIYWYGLKU-UHFFFAOYSA-N
XLogP2.24
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 113081515
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3,4-dimethoxybenzamide
CID 5239068
2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
CID 113081563
4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60982282
N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388851
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 51143916
N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112824285
3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide
CID 75520735
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide (CID 113081493) is 3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide is COc1ccc(C(=O)NCc2nc3c([nH]2)CCCC3)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide?
The InChIKey is ZVIVIWIYWYGLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-14-8-7-11(9-15(14)23-2)17(21)18-10-16-19-12-5-3-4-6-13(12)20-16/h7-9H,3-6,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide?
3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide is sourced from PubChem (CID 113081493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).