N-(1,2-dimethylbenzimidazol-5-yl)furan-2-carboxamide

C14H13N3O2 — CID 828712

IUPACN-(1,2-dimethylbenzimidazol-5-yl)furan-2-carboxamide
SMILESCc1nc2cc(NC(=O)c3ccco3)ccc2n1C
InChIInChI=1S/C14H13N3O2/c1-9-15-11-8-10(5-6-12(11)17(9)2)16-14(18)13-4-3-7-19-13/h3-8H,1-2H3,(H,16,18)
InChIKeyUYVQBYCMHNJXDH-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.73
Rot. Bonds2

About N-(1,2-dimethylbenzimidazol-5-yl)furan-2-carboxamide

N-(1,2-dimethylbenzimidazol-5-yl)furan-2-carboxamide (PubChem CID 828712) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(1,2-dimethylbenzimidazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,2-dimethylbenzimidazol-5-yl)furan-2-carboxamide
PubChem CID828712
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-(1,2-dimethylbenzimidazol-5-yl)furan-2-carboxamide
SMILESCc1nc2cc(NC(=O)c3ccco3)ccc2n1C
InChIInChI=1S/C14H13N3O2/c1-9-15-11-8-10(5-6-12(11)17(9)2)16-14(18)13-4-3-7-19-13/h3-8H,1-2H3,(H,16,18)
InChIKeyUYVQBYCMHNJXDH-UHFFFAOYSA-N
XLogP2.73
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)furan-2-carboxamide?
The IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)furan-2-carboxamide (CID 828712) is N-(1,2-dimethylbenzimidazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(1,2-dimethylbenzimidazol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(1,2-dimethylbenzimidazol-5-yl)furan-2-carboxamide is Cc1nc2cc(NC(=O)c3ccco3)ccc2n1C.
What is the InChIKey of N-(1,2-dimethylbenzimidazol-5-yl)furan-2-carboxamide?
The InChIKey is UYVQBYCMHNJXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-15-11-8-10(5-6-12(11)17(9)2)16-14(18)13-4-3-7-19-13/h3-8H,1-2H3,(H,16,18).
What are the key properties of N-(1,2-dimethylbenzimidazol-5-yl)furan-2-carboxamide?
N-(1,2-dimethylbenzimidazol-5-yl)furan-2-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylbenzimidazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 828712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).