N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine

C14H21N3 — CID 96673204

IUPACN-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine
SMILESCCc1nc2ccc(CCNC(C)C)cc2[nH]1
InChIInChI=1S/C14H21N3/c1-4-14-16-12-6-5-11(9-13(12)17-14)7-8-15-10(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyKXMCLSXGKNEKIK-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine

N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine (PubChem CID 96673204) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine
PubChem CID96673204
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine
SMILESCCc1nc2ccc(CCNC(C)C)cc2[nH]1
InChIInChI=1S/C14H21N3/c1-4-14-16-12-6-5-11(9-13(12)17-14)7-8-15-10(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyKXMCLSXGKNEKIK-UHFFFAOYSA-N
XLogP2.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[6-[2-(propan-2-ylamino)ethyl]-1H-benzimidazol-2-yl]methanediol
CID 90364939
N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine
CID 98783912
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337145
2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol
CID 81431647
N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine
CID 82495000
(2-ethyl-3H-benzimidazol-5-yl)methanesulfonic acid
CID 175304465
6-ethyl-2-(2-methylbutyl)-1H-benzimidazole
CID 114875306
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine
CID 82493442
2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82500177
2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 60837050
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336949

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine (CID 96673204) is N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine is CCc1nc2ccc(CCNC(C)C)cc2[nH]1.
What is the InChIKey of N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine?
The InChIKey is KXMCLSXGKNEKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-14-16-12-6-5-11(9-13(12)17-14)7-8-15-10(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine?
N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 96673204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).