1-methyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine

C14H15N3O — CID 3948747

IUPAC1-methyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine
SMILESCc1ccc(CNc2nc3ccccc3n2C)o1
InChIInChI=1S/C14H15N3O/c1-10-7-8-11(18-10)9-15-14-16-12-5-3-4-6-13(12)17(14)2/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyWEMKVXZBYCUZBY-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.09
Rot. Bonds3

About 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine

1-methyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine (PubChem CID 3948747) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine
PubChem CID3948747
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-methyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine
SMILESCc1ccc(CNc2nc3ccccc3n2C)o1
InChIInChI=1S/C14H15N3O/c1-10-7-8-11(18-10)9-15-14-16-12-5-3-4-6-13(12)17(14)2/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyWEMKVXZBYCUZBY-UHFFFAOYSA-N
XLogP3.09
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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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
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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
CID 665062
1-Methyl-2-(5-methyl-2-furanyl)-1H-benzimidazole
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2-(5-Methyl-2-furyl)benzimidazole
CID 827976

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine (CID 3948747) is 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine is Cc1ccc(CNc2nc3ccccc3n2C)o1.
What is the InChIKey of 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is WEMKVXZBYCUZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-7-8-11(18-10)9-15-14-16-12-5-3-4-6-13(12)17(14)2/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine?
1-methyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 241.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 3948747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).