N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide

C20H20FN3O — CID 110786170

IUPACN-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
SMILESCn1c(C2CC2)nc2cc(CNC(=O)Cc3cccc(F)c3)ccc21
InChIInChI=1S/C20H20FN3O/c1-24-18-8-5-14(10-17(18)23-20(24)15-6-7-15)12-22-19(25)11-13-3-2-4-16(21)9-13/h2-5,8-10,15H,6-7,11-12H2,1H3,(H,22,25)
InChIKeyIXCXVYOSANXAHA-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.45
Rot. Bonds5

About N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide

N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide (PubChem CID 110786170) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
PubChem CID110786170
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
SMILESCn1c(C2CC2)nc2cc(CNC(=O)Cc3cccc(F)c3)ccc21
InChIInChI=1S/C20H20FN3O/c1-24-18-8-5-14(10-17(18)23-20(24)15-6-7-15)12-22-19(25)11-13-3-2-4-16(21)9-13/h2-5,8-10,15H,6-7,11-12H2,1H3,(H,22,25)
InChIKeyIXCXVYOSANXAHA-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110773369
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]pentanamide
CID 110786135
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-(2-methylpropyl)acetamide
CID 110773345
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110785396
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide
CID 110786150
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 110791866
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide
CID 110785961
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
CID 82497246
2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole
CID 110786179
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110773124
N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
CID 70838371

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide (CID 110786170) is N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide is Cn1c(C2CC2)nc2cc(CNC(=O)Cc3cccc(F)c3)ccc21.
What is the InChIKey of N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is IXCXVYOSANXAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-24-18-8-5-14(10-17(18)23-20(24)15-6-7-15)12-22-19(25)11-13-3-2-4-16(21)9-13/h2-5,8-10,15H,6-7,11-12H2,1H3,(H,22,25).
What are the key properties of N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide?
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 337.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 110786170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).