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

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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).