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

C14H15N3O — CID 61038634

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine
SMILESCc1ccc(C(C)Nc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C14H15N3O/c1-9-7-8-13(18-9)10(2)15-14-16-11-5-3-4-6-12(11)17-14/h3-8,10H,1-2H3,(H2,15,16,17)
InChIKeyJVUWMVXQZCJIQM-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.64
Rot. Bonds3

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

N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine (PubChem CID 61038634) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine
PubChem CID61038634
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine
SMILESCc1ccc(C(C)Nc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C14H15N3O/c1-9-7-8-13(18-9)10(2)15-14-16-11-5-3-4-6-12(11)17-14/h3-8,10H,1-2H3,(H2,15,16,17)
InChIKeyJVUWMVXQZCJIQM-UHFFFAOYSA-N
XLogP3.64
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 106544922
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine
CID 106282981
N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine
CID 60724163
N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine
CID 60651617
N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 60724213
(2R)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541904
(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541903
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 112547613
N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 63535929
2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 65191883
methyl 2-(1H-benzimidazol-2-ylamino)propanoate
CID 51059105
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine (CID 61038634) is N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine is Cc1ccc(C(C)Nc2nc3ccccc3[nH]2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine?
The InChIKey is JVUWMVXQZCJIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-7-8-13(18-9)10(2)15-14-16-11-5-3-4-6-12(11)17-14/h3-8,10H,1-2H3,(H2,15,16,17).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine?
N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine has a molecular weight of 241.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 61038634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).