1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol

C16H16ClN3O — CID 82562545

IUPAC1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol
SMILESCc1ccc2nc(NCC(O)c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C16H16ClN3O/c1-10-2-7-13-14(8-10)20-16(19-13)18-9-15(21)11-3-5-12(17)6-4-11/h2-8,15,21H,9H2,1H3,(H2,18,19,20)
InChIKeyFBTPYBHMYHBEPC-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol

1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol (PubChem CID 82562545) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol
PubChem CID82562545
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol
SMILESCc1ccc2nc(NCC(O)c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C16H16ClN3O/c1-10-2-7-13-14(8-10)20-16(19-13)18-9-15(21)11-3-5-12(17)6-4-11/h2-8,15,21H,9H2,1H3,(H2,18,19,20)
InChIKeyFBTPYBHMYHBEPC-UHFFFAOYSA-N
XLogP3.67
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol
CID 2053602
N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 82564325
2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol
CID 133410382
6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
CID 82562533
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
6-[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135993692
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethanol
CID 102488846

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol (CID 82562545) is 1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol is Cc1ccc2nc(NCC(O)c3ccc(Cl)cc3)[nH]c2c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol?
The InChIKey is FBTPYBHMYHBEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-10-2-7-13-14(8-10)20-16(19-13)18-9-15(21)11-3-5-12(17)6-4-11/h2-8,15,21H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol?
1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol has a molecular weight of 301.78 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol is sourced from PubChem (CID 82562545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).