1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide

C20H15F2N3O2 — CID 23996925

IUPAC1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCc3ccco3)ccc2n1-c1ccc(F)c(F)c1
InChIInChI=1S/C20H15F2N3O2/c1-12-24-18-9-13(20(26)23-11-15-3-2-8-27-15)4-7-19(18)25(12)14-5-6-16(21)17(22)10-14/h2-10H,11H2,1H3,(H,23,26)
InChIKeyDFDKPNZDXMCXKA-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.14
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide

1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide (PubChem CID 23996925) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide
PubChem CID23996925
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCc3ccco3)ccc2n1-c1ccc(F)c(F)c1
InChIInChI=1S/C20H15F2N3O2/c1-12-24-18-9-13(20(26)23-11-15-3-2-8-27-15)4-7-19(18)25(12)14-5-6-16(21)17(22)10-14/h2-10H,11H2,1H3,(H,23,26)
InChIKeyDFDKPNZDXMCXKA-UHFFFAOYSA-N
XLogP4.14
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 55505787
4-chloro-N-(furan-2-ylmethyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277417
2,3-diethyl-N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2302300
2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
CID 100786923
2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide
CID 100788712
N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide
CID 53370069
2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46653202
1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 61470338
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
2-chloro-N-(furan-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100786930
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide (CID 23996925) is 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NCc3ccco3)ccc2n1-c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide?
The InChIKey is DFDKPNZDXMCXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c1-12-24-18-9-13(20(26)23-11-15-3-2-8-27-15)4-7-19(18)25(12)14-5-6-16(21)17(22)10-14/h2-10H,11H2,1H3,(H,23,26).
What are the key properties of 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide?
1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 23996925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).