6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide

C16H24N4O — CID 61275163

IUPAC6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
SMILESCc1nc2ccccc2n1CCNC(=O)CCCCCN
InChIInChI=1S/C16H24N4O/c1-13-19-14-7-4-5-8-15(14)20(13)12-11-18-16(21)9-3-2-6-10-17/h4-5,7-8H,2-3,6,9-12,17H2,1H3,(H,18,21)
InChIKeyYJPUOAVBSWRWDX-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.98
Rot. Bonds8

About 6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide

6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide (PubChem CID 61275163) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
PubChem CID61275163
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
SMILESCc1nc2ccccc2n1CCNC(=O)CCCCCN
InChIInChI=1S/C16H24N4O/c1-13-19-14-7-4-5-8-15(14)20(13)12-11-18-16(21)9-3-2-6-10-17/h4-5,7-8H,2-3,6,9-12,17H2,1H3,(H,18,21)
InChIKeyYJPUOAVBSWRWDX-UHFFFAOYSA-N
XLogP1.98
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 40716506
5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 104684754
7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide
CID 119866274
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18120811
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
3-(4-chlorophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 40716505
tert-butyl N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]carbamate
CID 40716757
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784
2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 142104705
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide (CID 61275163) is 6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide is Cc1nc2ccccc2n1CCNC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide?
The InChIKey is YJPUOAVBSWRWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13-19-14-7-4-5-8-15(14)20(13)12-11-18-16(21)9-3-2-6-10-17/h4-5,7-8H,2-3,6,9-12,17H2,1H3,(H,18,21).
What are the key properties of 6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide?
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide has a molecular weight of 288.39 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide is sourced from PubChem (CID 61275163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).