1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine

C14H15N3O — CID 924295

IUPAC1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine
SMILESCCn1c(NCc2ccco2)nc2ccccc21
InChIInChI=1S/C14H15N3O/c1-2-17-13-8-4-3-7-12(13)16-14(17)15-10-11-6-5-9-18-11/h3-9H,2,10H2,1H3,(H,15,16)
InChIKeyXVKUMXLSEKBYCF-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.26
Rot. Bonds4

About 1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine

1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine (PubChem CID 924295) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine
PubChem CID924295
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine
SMILESCCn1c(NCc2ccco2)nc2ccccc21
InChIInChI=1S/C14H15N3O/c1-2-17-13-8-4-3-7-12(13)16-14(17)15-10-11-6-5-9-18-11/h3-9H,2,10H2,1H3,(H,15,16)
InChIKeyXVKUMXLSEKBYCF-UHFFFAOYSA-N
XLogP3.26
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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AC1903
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Isopropyl 4-(furan-2-yl)-2-methyl-4,10-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidine-3-carboxylate
CID 17198004
N-[3-(1-ethyl-1H-benzimidazol-2-yl)propyl]furan-2-carboxamide
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N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine
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N-(furan-2-ylmethyl)-9-methylpurin-6-amine
CID 221107
2-Furan-2-yl-1-furan-2-ylmethyl-1H-benzoimidazole
CID 650866
1H-Benzimidazole, 2-(5-bromo-2-furanyl)-1-methyl-
CID 665033
5-bromo-2-(5-bromofuran-2-yl)-1-methyl-1H-benzimidazole
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CID 806167

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine (CID 924295) is 1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine is CCn1c(NCc2ccco2)nc2ccccc21.
What is the InChIKey of 1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine?
The InChIKey is XVKUMXLSEKBYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-17-13-8-4-3-7-12(13)16-14(17)15-10-11-6-5-9-18-11/h3-9H,2,10H2,1H3,(H,15,16).
What are the key properties of 1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine?
1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine has a molecular weight of 241.29 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(furan-2-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 924295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).