2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile

C21H22N4O — CID 71649356

IUPAC2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(NC2CCC(O)CC2)nc2ccccc21
InChIInChI=1S/C21H22N4O/c22-13-15-5-1-2-6-16(15)14-25-20-8-4-3-7-19(20)24-21(25)23-17-9-11-18(26)12-10-17/h1-8,17-18,26H,9-12,14H2,(H,23,24)
InChIKeyXFMJCUDTWOWZBR-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.67
Rot. Bonds4

About 2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile

2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile (PubChem CID 71649356) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile
PubChem CID71649356
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(NC2CCC(O)CC2)nc2ccccc21
InChIInChI=1S/C21H22N4O/c22-13-15-5-1-2-6-16(15)14-25-20-8-4-3-7-19(20)24-21(25)23-17-9-11-18(26)12-10-17/h1-8,17-18,26H,9-12,14H2,(H,23,24)
InChIKeyXFMJCUDTWOWZBR-UHFFFAOYSA-N
XLogP3.67
TPSA73.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649354
4-[[1-[(2,5-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649349
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649355
2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile
CID 82359718
4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649347
4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine
CID 71648982
2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol
CID 115144104
1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018629
4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile
CID 43668939
2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid
CID 43831374
2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile
CID 142668525
2-[[2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl]benzonitrile
CID 84571433

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile (CID 71649356) is 2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile is N#Cc1ccccc1Cn1c(NC2CCC(O)CC2)nc2ccccc21.
What is the InChIKey of 2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile?
The InChIKey is XFMJCUDTWOWZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c22-13-15-5-1-2-6-16(15)14-25-20-8-4-3-7-19(20)24-21(25)23-17-9-11-18(26)12-10-17/h1-8,17-18,26H,9-12,14H2,(H,23,24).
What are the key properties of 2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile?
2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile has a molecular weight of 346.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 71649356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).