N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine

C13H13N3O — CID 55163006

IUPACN-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCc3ccoc3)cc2[nH]1
InChIInChI=1S/C13H13N3O/c1-9-15-12-3-2-11(6-13(12)16-9)14-7-10-4-5-17-8-10/h2-6,8,14H,7H2,1H3,(H,15,16)
InChIKeyIREQFRDRXMNVHU-UHFFFAOYSA-N
MW227.27 g/mol
LogP3.08
Rot. Bonds3

About N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine

N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine (PubChem CID 55163006) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
PubChem CID55163006
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCc3ccoc3)cc2[nH]1
InChIInChI=1S/C13H13N3O/c1-9-15-12-3-2-11(6-13(12)16-9)14-7-10-4-5-17-8-10/h2-6,8,14H,7H2,1H3,(H,15,16)
InChIKeyIREQFRDRXMNVHU-UHFFFAOYSA-N
XLogP3.08
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62121977
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzoic acid
CID 65347579
2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine
CID 62759070
2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine
CID 43746402
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide
CID 43791195
N-(furan-3-ylmethyl)-3,4-dimethylaniline
CID 63204332
N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62392283
2-methyl-N-[(3-nitrophenyl)methyl]-3H-benzimidazol-5-amine
CID 43232967
N-(furan-3-ylmethyl)quinolin-6-amine
CID 63204697
N-[(2-fluoro-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 103818702
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzene-1,3-diol
CID 43746434

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine (CID 55163006) is N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine is Cc1nc2ccc(NCc3ccoc3)cc2[nH]1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is IREQFRDRXMNVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-15-12-3-2-11(6-13(12)16-9)14-7-10-4-5-17-8-10/h2-6,8,14H,7H2,1H3,(H,15,16).
What are the key properties of N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine?
N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine has a molecular weight of 227.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 55163006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).