2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C21H23N3O2 — CID 110773369

IUPAC2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccc3c(c2)nc(C2CC2)n3C)cc1
InChIInChI=1S/C21H23N3O2/c1-24-19-10-5-15(11-18(19)23-21(24)16-6-7-16)12-20(25)22-13-14-3-8-17(26-2)9-4-14/h3-5,8-11,16H,6-7,12-13H2,1-2H3,(H,22,25)
InChIKeyYIYPPWQMMSAHKG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.32
Rot. Bonds6

About 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide

2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 110773369) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID110773369
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccc3c(c2)nc(C2CC2)n3C)cc1
InChIInChI=1S/C21H23N3O2/c1-24-19-10-5-15(11-18(19)23-21(24)16-6-7-16)12-20(25)22-13-14-3-8-17(26-2)9-4-14/h3-5,8-11,16H,6-7,12-13H2,1-2H3,(H,22,25)
InChIKeyYIYPPWQMMSAHKG-UHFFFAOYSA-N
XLogP3.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110786170
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-(2-methylpropyl)acetamide
CID 110773345
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide
CID 110786150
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
N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 110791866
N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]-2-methoxybenzamide
CID 110791879
2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 167881813
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
CID 82497246
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110773124
O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
CID 117309592
2-(5-acetyl-2-methoxyphenyl)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)acetamide
CID 71907055

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 110773369) is 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cc2ccc3c(c2)nc(C2CC2)n3C)cc1.
What is the InChIKey of 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is YIYPPWQMMSAHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-24-19-10-5-15(11-18(19)23-21(24)16-6-7-16)12-20(25)22-13-14-3-8-17(26-2)9-4-14/h3-5,8-11,16H,6-7,12-13H2,1-2H3,(H,22,25).
What are the key properties of 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 110773369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).