N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide

C17H16FN3O — CID 110692472

IUPACN-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NCCc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C17H16FN3O/c1-11-20-15-7-4-13(10-16(15)21-11)17(22)19-9-8-12-2-5-14(18)6-3-12/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,21)
InChIKeyVXTQTWCGRDFBGD-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.98
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 110692472) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
PubChem CID110692472
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NCCc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C17H16FN3O/c1-11-20-15-7-4-13(10-16(15)21-11)17(22)19-9-8-12-2-5-14(18)6-3-12/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,21)
InChIKeyVXTQTWCGRDFBGD-UHFFFAOYSA-N
XLogP2.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791481
N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 46963232
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791460
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167417
1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051094
1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide
CID 110791557

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide (CID 110692472) is N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)NCCc3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is VXTQTWCGRDFBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-11-20-15-7-4-13(10-16(15)21-11)17(22)19-9-8-12-2-5-14(18)6-3-12/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 297.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110692472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).