2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide

C14H12ClN3O2 — CID 100788712

IUPAC2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide
SMILESCn1c(Cl)nc2ccc(C(=O)NCc3ccco3)cc21
InChIInChI=1S/C14H12ClN3O2/c1-18-12-7-9(4-5-11(12)17-14(18)15)13(19)16-8-10-3-2-6-20-10/h2-7H,8H2,1H3,(H,16,19)
InChIKeyKMSCAQAVYYIDFY-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.75
Rot. Bonds3

About 2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide

2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide (PubChem CID 100788712) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide
PubChem CID100788712
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide
SMILESCn1c(Cl)nc2ccc(C(=O)NCc3ccco3)cc21
InChIInChI=1S/C14H12ClN3O2/c1-18-12-7-9(4-5-11(12)17-14(18)15)13(19)16-8-10-3-2-6-20-10/h2-7H,8H2,1H3,(H,16,19)
InChIKeyKMSCAQAVYYIDFY-UHFFFAOYSA-N
XLogP2.75
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
2,3-diethyl-N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2302300
2-chloro-N-(furan-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100786930
2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
CID 100786923
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1087305
3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054062
4-chloro-N-(furan-2-ylmethyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277417
N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111173
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029304
3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide
CID 22575714

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide (CID 100788712) is 2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide is Cn1c(Cl)nc2ccc(C(=O)NCc3ccco3)cc21.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide?
The InChIKey is KMSCAQAVYYIDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-18-12-7-9(4-5-11(12)17-14(18)15)13(19)16-8-10-3-2-6-20-10/h2-7H,8H2,1H3,(H,16,19).
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide?
2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 100788712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).