2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine

C17H26N4 — CID 62654333

IUPAC2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
SMILESCc1nc2ccccc2n1CCNCC1CCCCN1C
InChIInChI=1S/C17H26N4/c1-14-19-16-8-3-4-9-17(16)21(14)12-10-18-13-15-7-5-6-11-20(15)2/h3-4,8-9,15,18H,5-7,10-13H2,1-2H3
InChIKeyWYNIWBQSAHEJKZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.42
Rot. Bonds5

About 2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine

2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine (PubChem CID 62654333) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
PubChem CID62654333
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
SMILESCc1nc2ccccc2n1CCNCC1CCCCN1C
InChIInChI=1S/C17H26N4/c1-14-19-16-8-3-4-9-17(16)21(14)12-10-18-13-15-7-5-6-11-20(15)2/h3-4,8-9,15,18H,5-7,10-13H2,1-2H3
InChIKeyWYNIWBQSAHEJKZ-UHFFFAOYSA-N
XLogP2.42
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707187
2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111352595
1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
CID 28712904
1-ethyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111353243
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 24554300
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine
CID 43394941
2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
CID 79864476
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine
CID 62871960
(3S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 28950125

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine (CID 62654333) is 2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine is Cc1nc2ccccc2n1CCNCC1CCCCN1C.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
The InChIKey is WYNIWBQSAHEJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-14-19-16-8-3-4-9-17(16)21(14)12-10-18-13-15-7-5-6-11-20(15)2/h3-4,8-9,15,18H,5-7,10-13H2,1-2H3.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine has a molecular weight of 286.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 62654333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).