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

C15H23N3 — CID 55104728

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine
SMILESCCCCC(C)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H23N3/c1-4-5-8-11(2)16-12(3)15-17-13-9-6-7-10-14(13)18-15/h6-7,9-12,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyOQUBOZPCTGIZOY-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.79
Rot. Bonds6

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

N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine (PubChem CID 55104728) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine
PubChem CID55104728
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine
SMILESCCCCC(C)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H23N3/c1-4-5-8-11(2)16-12(3)15-17-13-9-6-7-10-14(13)18-15/h6-7,9-12,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyOQUBOZPCTGIZOY-UHFFFAOYSA-N
XLogP3.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine
CID 62671424
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
CID 27506225
2-hexadecan-7-yl-1H-benzimidazole
CID 54269360
N-[1-(1H-benzimidazol-2-yl)pentyl]acetamide
CID 4652021
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 62673016
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide
CID 115532400
2-[1-(1H-benzimidazol-2-yl)ethylamino]propanoic acid
CID 66173148
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
2-propan-2-yl-1H-benzimidazole
CID 22121
N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine
CID 62197068
N-(1-phenylethyl)hexan-2-amine
CID 43755937
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]ethyl]ethanamine
CID 101341213

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine (CID 55104728) is N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine is CCCCC(C)NC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine?
The InChIKey is OQUBOZPCTGIZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-5-8-11(2)16-12(3)15-17-13-9-6-7-10-14(13)18-15/h6-7,9-12,16H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine?
N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 55104728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).