N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide

C14H13N3O2 — CID 5297506

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H13N3O2/c1-9-10(6-7-19-9)14(18)15-8-13-16-11-4-2-3-5-12(11)17-13/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyGKZGJOWXZZWQEX-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.39
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide (PubChem CID 5297506) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide
PubChem CID5297506
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H13N3O2/c1-9-10(6-7-19-9)14(18)15-8-13-16-11-4-2-3-5-12(11)17-13/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyGKZGJOWXZZWQEX-UHFFFAOYSA-N
XLogP2.39
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide (CID 5297506) is N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide?
The InChIKey is GKZGJOWXZZWQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-10(6-7-19-9)14(18)15-8-13-16-11-4-2-3-5-12(11)17-13/h2-7H,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 5297506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).