N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine

C17H26N4 — CID 60696042

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCCn1c(CNCCN2CCCCC2)nc2ccccc21
InChIInChI=1S/C17H26N4/c1-2-21-16-9-5-4-8-15(16)19-17(21)14-18-10-13-20-11-6-3-7-12-20/h4-5,8-9,18H,2-3,6-7,10-14H2,1H3
InChIKeyNFNLTZDWLXCOMT-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.63
Rot. Bonds6

About N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 60696042) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine
PubChem CID60696042
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCCn1c(CNCCN2CCCCC2)nc2ccccc21
InChIInChI=1S/C17H26N4/c1-2-21-16-9-5-4-8-15(16)19-17(21)14-18-10-13-20-11-6-3-7-12-20/h4-5,8-9,18H,2-3,6-7,10-14H2,1H3
InChIKeyNFNLTZDWLXCOMT-UHFFFAOYSA-N
XLogP2.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.63
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

N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 61020851
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115574819
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 47145524
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 54906324
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765848
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine
CID 56816229
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
3-(4-benzylpiperazin-1-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine
CID 112844244
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 93418668

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine (CID 60696042) is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine is CCn1c(CNCCN2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is NFNLTZDWLXCOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-21-16-9-5-4-8-15(16)19-17(21)14-18-10-13-20-11-6-3-7-12-20/h4-5,8-9,18H,2-3,6-7,10-14H2,1H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 286.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 60696042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).