2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine

C17H18ClN3 — CID 115472609

IUPAC2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine
SMILESCCn1c(CC(N)c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C17H18ClN3/c1-2-21-16-10-13(18)8-9-15(16)20-17(21)11-14(19)12-6-4-3-5-7-12/h3-10,14H,2,11,19H2,1H3
InChIKeyQNBQNWVBROLGDI-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.95
Rot. Bonds4

About 2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine

2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine (PubChem CID 115472609) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine
PubChem CID115472609
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine
SMILESCCn1c(CC(N)c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C17H18ClN3/c1-2-21-16-10-13(18)8-9-15(16)20-17(21)11-14(19)12-6-4-3-5-7-12/h3-10,14H,2,11,19H2,1H3
InChIKeyQNBQNWVBROLGDI-UHFFFAOYSA-N
XLogP3.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113316610
1-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylmethanamine
CID 46310511
6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole
CID 46310462
3-(6-chloro-1-ethylbenzimidazol-2-yl)propanoic acid
CID 54772684
1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 115472770
(5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine
CID 60784401
2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine
CID 60783423
2-(1-ethylbenzimidazol-2-yl)-1-pyridin-2-ylethanamine
CID 79753548
2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol
CID 46308191
1,2-dibenzyl-6-chlorobenzimidazole
CID 46311010
6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole
CID 46310887
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methylaniline
CID 115472577

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine?
The IUPAC name of 2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine (CID 115472609) is 2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine.
What is the SMILES notation for 2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine?
The canonical SMILES for 2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine is CCn1c(CC(N)c2ccccc2)nc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine?
The InChIKey is QNBQNWVBROLGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-2-21-16-10-13(18)8-9-15(16)20-17(21)11-14(19)12-6-4-3-5-7-12/h3-10,14H,2,11,19H2,1H3.
What are the key properties of 2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine?
2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine has a molecular weight of 299.81 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine is sourced from PubChem (CID 115472609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).