N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide

C19H21N3O3 — CID 51143987

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3[nH]2)ccc1OC(C)C
InChIInChI=1S/C19H21N3O3/c1-12(2)25-16-9-8-13(10-17(16)24-3)19(23)20-11-18-21-14-6-4-5-7-15(14)22-18/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBOTVPYDFEVGHKA-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.29
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide

N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide (PubChem CID 51143987) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
PubChem CID51143987
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3[nH]2)ccc1OC(C)C
InChIInChI=1S/C19H21N3O3/c1-12(2)25-16-9-8-13(10-17(16)24-3)19(23)20-11-18-21-14-6-4-5-7-15(14)22-18/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBOTVPYDFEVGHKA-UHFFFAOYSA-N
XLogP3.29
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 51143916
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide
CID 146022195
2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 66527326
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55862157
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,4-dimethoxybenzamide
CID 55812543
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 125432858
N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide (CID 51143987) is N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide is COc1cc(C(=O)NCc2nc3ccccc3[nH]2)ccc1OC(C)C.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide?
The InChIKey is BOTVPYDFEVGHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(2)25-16-9-8-13(10-17(16)24-3)19(23)20-11-18-21-14-6-4-5-7-15(14)22-18/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide?
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide has a molecular weight of 339.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 51143987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).