N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide

C19H21N3O2 — CID 22695827

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(c2nc3ccccc3[nH]2)C(C)C)c1
InChIInChI=1S/C19H21N3O2/c1-12(2)17(18-20-15-9-4-5-10-16(15)21-18)22-19(23)13-7-6-8-14(11-13)24-3/h4-12,17H,1-3H3,(H,20,21)(H,22,23)
InChIKeyPISFTNCCUQOHNO-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.70
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide (PubChem CID 22695827) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide
PubChem CID22695827
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(c2nc3ccccc3[nH]2)C(C)C)c1
InChIInChI=1S/C19H21N3O2/c1-12(2)17(18-20-15-9-4-5-10-16(15)21-18)22-19(23)13-7-6-8-14(11-13)24-3/h4-12,17H,1-3H3,(H,20,21)(H,22,23)
InChIKeyPISFTNCCUQOHNO-UHFFFAOYSA-N
XLogP3.70
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 43889810
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55939904
(E)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 8927993
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474627
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 134011441
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide
CID 51158118
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-chloro-2-methoxybenzamide
CID 95248304
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-6-carboxamide
CID 124847703

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide (CID 22695827) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide is COc1cccc(C(=O)NC(c2nc3ccccc3[nH]2)C(C)C)c1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide?
The InChIKey is PISFTNCCUQOHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12(2)17(18-20-15-9-4-5-10-16(15)21-18)22-19(23)13-7-6-8-14(11-13)24-3/h4-12,17H,1-3H3,(H,20,21)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide has a molecular weight of 323.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide is sourced from PubChem (CID 22695827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).