N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine

C14H19N3 — CID 82495000

IUPACN-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine
SMILESCCc1nc2ccc(CNC3CCC3)cc2[nH]1
InChIInChI=1S/C14H19N3/c1-2-14-16-12-7-6-10(8-13(12)17-14)9-15-11-4-3-5-11/h6-8,11,15H,2-5,9H2,1H3,(H,16,17)
InChIKeyNOWSSBVFCGOWNS-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.77
Rot. Bonds4

About N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine

N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine (PubChem CID 82495000) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine
PubChem CID82495000
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine
SMILESCCc1nc2ccc(CNC3CCC3)cc2[nH]1
InChIInChI=1S/C14H19N3/c1-2-14-16-12-7-6-10(8-13(12)17-14)9-15-11-4-3-5-11/h6-8,11,15H,2-5,9H2,1H3,(H,16,17)
InChIKeyNOWSSBVFCGOWNS-UHFFFAOYSA-N
XLogP2.77
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336949
2-(cyclobutylmethyl)-6-ethyl-1H-benzimidazole
CID 103164535
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine
CID 96673204
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclopentanamine
CID 82336914
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine
CID 82493442
(2-ethyl-3H-benzimidazol-5-yl)methanesulfonic acid
CID 175304465
N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine
CID 98783912
tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate
CID 142258214
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336932
2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
N-[[4-[2,3,5,6-tetrafluoro-4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]cyclohexanamine
CID 175937999

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine (CID 82495000) is N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine is CCc1nc2ccc(CNC3CCC3)cc2[nH]1.
What is the InChIKey of N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine?
The InChIKey is NOWSSBVFCGOWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-14-16-12-7-6-10(8-13(12)17-14)9-15-11-4-3-5-11/h6-8,11,15H,2-5,9H2,1H3,(H,16,17).
What are the key properties of N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine?
N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine has a molecular weight of 229.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine is sourced from PubChem (CID 82495000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).