[1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol

C15H22N4O — CID 103965451

IUPAC[1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol
SMILESNc1ccc2nc(NCC3(CO)CCCCC3)[nH]c2c1
InChIInChI=1S/C15H22N4O/c16-11-4-5-12-13(8-11)19-14(18-12)17-9-15(10-20)6-2-1-3-7-15/h4-5,8,20H,1-3,6-7,9-10,16H2,(H2,17,18,19)
InChIKeyKOPIMTBJVPRKHV-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.50
Rot. Bonds4

About [1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol

[1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 103965451) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol
PubChem CID103965451
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol
SMILESNc1ccc2nc(NCC3(CO)CCCCC3)[nH]c2c1
InChIInChI=1S/C15H22N4O/c16-11-4-5-12-13(8-11)19-14(18-12)17-9-15(10-20)6-2-1-3-7-15/h4-5,8,20H,1-3,6-7,9-10,16H2,(H2,17,18,19)
InChIKeyKOPIMTBJVPRKHV-UHFFFAOYSA-N
XLogP2.50
TPSA86.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
2-hydrazinyl-3H-benzimidazol-5-amine
CID 83416584
2-N-[(3-methoxyoxolan-3-yl)methyl]-3H-benzimidazole-2,5-diamine
CID 104758986
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
3-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 106309029
2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine
CID 106328017
4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358089
2-N-(2-propan-2-yloxyethyl)-3H-benzimidazole-2,5-diamine
CID 113449876
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171
2-N-[2-(2-methylprop-2-enoxy)ethyl]-3H-benzimidazole-2,5-diamine
CID 114465272
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
CID 103965250
[1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115366395

Frequently Asked Questions

What is the IUPAC name of [1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol (CID 103965451) is [1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol is Nc1ccc2nc(NCC3(CO)CCCCC3)[nH]c2c1.
What is the InChIKey of [1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is KOPIMTBJVPRKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c16-11-4-5-12-13(8-11)19-14(18-12)17-9-15(10-20)6-2-1-3-7-15/h4-5,8,20H,1-3,6-7,9-10,16H2,(H2,17,18,19).
What are the key properties of [1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 274.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103965451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).