2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine

C16H24N4 — CID 79707187

IUPAC2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESCc1nc2ccccc2n1CCNCC1CCNCC1
InChIInChI=1S/C16H24N4/c1-13-19-15-4-2-3-5-16(15)20(13)11-10-18-12-14-6-8-17-9-7-14/h2-5,14,17-18H,6-12H2,1H3
InChIKeyRJKWGMXWZYTOOI-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.93
Rot. Bonds5

About 2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine

2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79707187) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79707187
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESCc1nc2ccccc2n1CCNCC1CCNCC1
InChIInChI=1S/C16H24N4/c1-13-19-15-4-2-3-5-16(15)20(13)11-10-18-12-14-6-8-17-9-7-14/h2-5,14,17-18H,6-12H2,1H3
InChIKeyRJKWGMXWZYTOOI-UHFFFAOYSA-N
XLogP1.93
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.93
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

2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 62654333
2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 51080822
4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 119835419
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344
N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
CID 28712904
3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine
CID 136905548
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine
CID 43394941
2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66410022
(3S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 28950125
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine (CID 79707187) is 2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine is Cc1nc2ccccc2n1CCNCC1CCNCC1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is RJKWGMXWZYTOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13-19-15-4-2-3-5-16(15)20(13)11-10-18-12-14-6-8-17-9-7-14/h2-5,14,17-18H,6-12H2,1H3.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine?
2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 272.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79707187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).