N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide

C20H21N3O2 — CID 110786150

IUPACN-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C20H21N3O2/c1-23-17-10-7-13(11-16(17)22-19(23)14-8-9-14)12-21-20(24)15-5-3-4-6-18(15)25-2/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,21,24)
InChIKeyPKMYADJVXYBBTF-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.39
Rot. Bonds5

About N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide

N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide (PubChem CID 110786150) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide
PubChem CID110786150
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C20H21N3O2/c1-23-17-10-7-13(11-16(17)22-19(23)14-8-9-14)12-21-20(24)15-5-3-4-6-18(15)25-2/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,21,24)
InChIKeyPKMYADJVXYBBTF-UHFFFAOYSA-N
XLogP3.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]-2-methoxybenzamide
CID 110791879
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110773369
2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 167881813
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110786170
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]pentanamide
CID 110786135
1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea
CID 110776249
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-(2-methylpropyl)acetamide
CID 110773345
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
CID 110785957
N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 110791866
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
CID 82497246
O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
CID 117309592
2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole
CID 110786179

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide?
The IUPAC name of N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide (CID 110786150) is N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1ccc2c(c1)nc(C1CC1)n2C.
What is the InChIKey of N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide?
The InChIKey is PKMYADJVXYBBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-23-17-10-7-13(11-16(17)22-19(23)14-8-9-14)12-21-20(24)15-5-3-4-6-18(15)25-2/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,21,24).
What are the key properties of N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide?
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide has a molecular weight of 335.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 110786150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).