4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol

C20H21Cl2N3O — CID 71649354

IUPAC4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H21Cl2N3O/c21-14-6-5-13(17(22)11-14)12-25-19-4-2-1-3-18(19)24-20(25)23-15-7-9-16(26)10-8-15/h1-6,11,15-16,26H,7-10,12H2,(H,23,24)
InChIKeyJZNJNXMHGPETCS-UHFFFAOYSA-N
MW390.31 g/mol
LogP5.11
Rot. Bonds4

About 4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol

4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol (PubChem CID 71649354) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.31 g/mol. Its IUPAC name is 4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
PubChem CID71649354
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.31 g/mol
Exact Mass389.11
IUPAC Name4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H21Cl2N3O/c21-14-6-5-13(17(22)11-14)12-25-19-4-2-1-3-18(19)24-20(25)23-15-7-9-16(26)10-8-15/h1-6,11,15-16,26H,7-10,12H2,(H,23,24)
InChIKeyJZNJNXMHGPETCS-UHFFFAOYSA-N
XLogP5.11
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.31
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[1-[(2,5-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649349
4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine
CID 71648982
4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649347
2-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine
CID 71649092
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649355
2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile
CID 71649356
1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
CID 15037387
1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018629
[1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine
CID 45276595
tert-butyl (3R)-3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]oxypyrrolidine-1-carboxylate
CID 71629538
4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]morpholine
CID 6494343
2-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 51142216

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol (CID 71649354) is 4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol?
The InChIKey is JZNJNXMHGPETCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O/c21-14-6-5-13(17(22)11-14)12-25-19-4-2-1-3-18(19)24-20(25)23-15-7-9-16(26)10-8-15/h1-6,11,15-16,26H,7-10,12H2,(H,23,24).
What are the key properties of 4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol?
4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol has a molecular weight of 390.31 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 71649354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).