N-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine

C15H17N3O — CID 924071

IUPACN-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine
SMILESCCCn1c(NCc2ccco2)nc2ccccc21
InChIInChI=1S/C15H17N3O/c1-2-9-18-14-8-4-3-7-13(14)17-15(18)16-11-12-6-5-10-19-12/h3-8,10H,2,9,11H2,1H3,(H,16,17)
InChIKeyNGLVIFBDNDEZEJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.65
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine

N-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine (PubChem CID 924071) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine
PubChem CID924071
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine
SMILESCCCn1c(NCc2ccco2)nc2ccccc21
InChIInChI=1S/C15H17N3O/c1-2-9-18-14-8-4-3-7-13(14)17-15(18)16-11-12-6-5-10-19-12/h3-8,10H,2,9,11H2,1H3,(H,16,17)
InChIKeyNGLVIFBDNDEZEJ-UHFFFAOYSA-N
XLogP3.65
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Fuberidazole
CID 19756
Noberastine
CID 60531
AC1903
CID 667146
2-Furan-2-yl-1-methyl-1H-naphtho[2,3-d]imidazole
CID 649492
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
CID 3164555
N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine
CID 828702
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
CID 665062
1-Methyl-2-(5-methyl-2-furanyl)-1H-benzimidazole
CID 806167

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine (CID 924071) is N-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine is CCCn1c(NCc2ccco2)nc2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine?
The InChIKey is NGLVIFBDNDEZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-9-18-14-8-4-3-7-13(14)17-15(18)16-11-12-6-5-10-19-12/h3-8,10H,2,9,11H2,1H3,(H,16,17).
What are the key properties of N-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine?
N-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine has a molecular weight of 255.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-propylbenzimidazol-2-amine is sourced from PubChem (CID 924071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).