N-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine

C15H21N3 — CID 82497497

IUPACN-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine
SMILESCCn1c(C)nc2cc(CNC3CCC3)ccc21
InChIInChI=1S/C15H21N3/c1-3-18-11(2)17-14-9-12(7-8-15(14)18)10-16-13-5-4-6-13/h7-9,13,16H,3-6,10H2,1-2H3
InChIKeyLVNLGVFEYNNMMF-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.01
Rot. Bonds4

About N-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine

N-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine (PubChem CID 82497497) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine
PubChem CID82497497
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine
SMILESCCn1c(C)nc2cc(CNC3CCC3)ccc21
InChIInChI=1S/C15H21N3/c1-3-18-11(2)17-14-9-12(7-8-15(14)18)10-16-13-5-4-6-13/h7-9,13,16H,3-6,10H2,1-2H3
InChIKeyLVNLGVFEYNNMMF-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine
CID 82495021
N-[(9-ethylcarbazol-3-yl)methyl]cyclopentanamine;hydrochloride
CID 17331028
1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
CID 82495604
3-(1-ethyl-2-methylbenzimidazol-5-yl)propanenitrile
CID 82492713
N-[(3-methylquinolin-6-yl)methyl]cyclopropanamine
CID 116997781
cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone
CID 82494804
N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754
N-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide
CID 96677688
N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine
CID 82495000
1-ethyl-2-methyl-5-phenylbenzimidazole
CID 746920
N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
CID 55068076
1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
CID 82493448

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine (CID 82497497) is N-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine is CCn1c(C)nc2cc(CNC3CCC3)ccc21.
What is the InChIKey of N-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine?
The InChIKey is LVNLGVFEYNNMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-18-11(2)17-14-9-12(7-8-15(14)18)10-16-13-5-4-6-13/h7-9,13,16H,3-6,10H2,1-2H3.
What are the key properties of N-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine?
N-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine has a molecular weight of 243.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine is sourced from PubChem (CID 82497497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).