2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine

C16H16ClN3 — CID 66526945

IUPAC2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
SMILESClc1ccc(CNCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H16ClN3/c17-13-7-5-12(6-8-13)11-18-10-9-16-19-14-3-1-2-4-15(14)20-16/h1-8,18H,9-11H2,(H,19,20)
InChIKeyYZJCXHMKZBIOHE-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.55
Rot. Bonds5

About 2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine

2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine (PubChem CID 66526945) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
PubChem CID66526945
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
SMILESClc1ccc(CNCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H16ClN3/c17-13-7-5-12(6-8-13)11-18-10-9-16-19-14-3-1-2-4-15(14)20-16/h1-8,18H,9-11H2,(H,19,20)
InChIKeyYZJCXHMKZBIOHE-UHFFFAOYSA-N
XLogP3.55
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 66526990
4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline
CID 124824368
3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 66528584
2-(1H-benzimidazol-2-yl)-N-[(3-bromophenyl)methyl]ethanamine
CID 66526967
2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 66526954
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-chlorophenyl)methyl]-2-methylguanidine
CID 111130716
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
3-(1H-benzimidazol-2-yl)-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66529032
2-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine
CID 66526965
2-(1H-benzimidazol-2-yl)-N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 66526848
2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 66526955
3-(1H-benzimidazol-2-yl)-N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66529031

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine (CID 66526945) is 2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine is Clc1ccc(CNCCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine?
The InChIKey is YZJCXHMKZBIOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c17-13-7-5-12(6-8-13)11-18-10-9-16-19-14-3-1-2-4-15(14)20-16/h1-8,18H,9-11H2,(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine?
2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine has a molecular weight of 285.78 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 66526945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).