4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol

C20H21Cl2N3O — CID 71649347

IUPAC4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H21Cl2N3O/c21-16-10-5-13(11-17(16)22)12-25-19-4-2-1-3-18(19)24-20(25)23-14-6-8-15(26)9-7-14/h1-5,10-11,14-15,26H,6-9,12H2,(H,23,24)
InChIKeyYYLNKLBJCQFNPF-UHFFFAOYSA-N
MW390.31 g/mol
LogP5.11
Rot. Bonds4

About 4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol

4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol (PubChem CID 71649347) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.31 g/mol. Its IUPAC name is 4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
PubChem CID71649347
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.31 g/mol
Exact Mass389.11
IUPAC Name4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H21Cl2N3O/c21-16-10-5-13(11-17(16)22)12-25-19-4-2-1-3-18(19)24-20(25)23-14-6-8-15(26)9-7-14/h1-5,10-11,14-15,26H,6-9,12H2,(H,23,24)
InChIKeyYYLNKLBJCQFNPF-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-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol 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

4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649355
4-[[1-[(2,5-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649349
4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649354
2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile
CID 71649356
1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018629
1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018631
1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine
CID 158694216
4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine
CID 71648982
1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
CID 15037387
1-[2-[(3,4-dichlorophenyl)methylamino]phenyl]-3-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethylsulfanyl]urea
CID 88622211
N-[1-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-ylidene]hydroxylamine
CID 151889884
trans-(1S,2S)-2-N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine
CID 97168851

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol (CID 71649347) is 4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol?
The InChIKey is YYLNKLBJCQFNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O/c21-16-10-5-13(11-17(16)22)12-25-19-4-2-1-3-18(19)24-20(25)23-14-6-8-15(26)9-7-14/h1-5,10-11,14-15,26H,6-9,12H2,(H,23,24).
What are the key properties of 4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol?
4-[[1-[(3,4-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-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 71649347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).