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

C17H27N3 — CID 43103364

IUPAC5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine
SMILESCc1nc2ccccc2n1CCNC(C)CCC(C)C
InChIInChI=1S/C17H27N3/c1-13(2)9-10-14(3)18-11-12-20-15(4)19-16-7-5-6-8-17(16)20/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyQTJBLFKVBPDSCZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.76
Rot. Bonds7

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

5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine (PubChem CID 43103364) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine
PubChem CID43103364
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine
SMILESCc1nc2ccccc2n1CCNC(C)CCC(C)C
InChIInChI=1S/C17H27N3/c1-13(2)9-10-14(3)18-11-12-20-15(4)19-16-7-5-6-8-17(16)20/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyQTJBLFKVBPDSCZ-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine
CID 62536970
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine
CID 115707746
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylpentyl)guanidine
CID 111942807
(5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one
CID 129323268
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
CID 61020511
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111337075
3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 62839430
1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine
CID 62633045
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide
CID 111178831

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine (CID 43103364) is 5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine is Cc1nc2ccccc2n1CCNC(C)CCC(C)C.
What is the InChIKey of 5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine?
The InChIKey is QTJBLFKVBPDSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13(2)9-10-14(3)18-11-12-20-15(4)19-16-7-5-6-8-17(16)20/h5-8,13-14,18H,9-12H2,1-4H3.
What are the key properties of 5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine?
5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 43103364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).