1-[3,4-diamino-5-(1-cyclohexylbenzimidazol-5-yl)phenyl]piperidin-4-ol

C24H31N5O — CID 118338713

IUPAC1-[3,4-diamino-5-(1-cyclohexylbenzimidazol-5-yl)phenyl]piperidin-4-ol
SMILESNc1cc(N2CCC(O)CC2)cc(-c2ccc3c(c2)ncn3C2CCCCC2)c1N
InChIInChI=1S/C24H31N5O/c25-21-14-18(28-10-8-19(30)9-11-28)13-20(24(21)26)16-6-7-23-22(12-16)27-15-29(23)17-4-2-1-3-5-17/h6-7,12-15,17,19,30H,1-5,8-11,25-26H2
InChIKeyKIYVLJYXUOBVBK-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.33
Rot. Bonds3

About 1-[3,4-diamino-5-(1-cyclohexylbenzimidazol-5-yl)phenyl]piperidin-4-ol

1-[3,4-diamino-5-(1-cyclohexylbenzimidazol-5-yl)phenyl]piperidin-4-ol (PubChem CID 118338713) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-[3,4-diamino-5-(1-cyclohexylbenzimidazol-5-yl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3,4-diamino-5-(1-cyclohexylbenzimidazol-5-yl)phenyl]piperidin-4-ol
PubChem CID118338713
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name1-[3,4-diamino-5-(1-cyclohexylbenzimidazol-5-yl)phenyl]piperidin-4-ol
SMILESNc1cc(N2CCC(O)CC2)cc(-c2ccc3c(c2)ncn3C2CCCCC2)c1N
InChIInChI=1S/C24H31N5O/c25-21-14-18(28-10-8-19(30)9-11-28)13-20(24(21)26)16-6-7-23-22(12-16)27-15-29(23)17-4-2-1-3-5-17/h6-7,12-15,17,19,30H,1-5,8-11,25-26H2
InChIKeyKIYVLJYXUOBVBK-UHFFFAOYSA-N
XLogP4.33
TPSA93.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-amino-2-(4-aminophenyl)-1H-benzimidazol-1-yl]ethanol
CID 1160409
(2R)-2-[[7-(benzylamino)-3-isopropyl-benzimidazol-5-yl]amino]propan-1-ol
CID 44143082
N-benzyl-6-[(4-fluorophenyl)methyl]-1-propan-2-ylbenzimidazol-4-amine
CID 44143083
1-[4-(4-Benzhydrylpiperazin-1-yl)butyl]-5,6-dimethylbenzimidazole
CID 168297072
1-benzyl-5,6-dimethyl-1H-1,3-benzimidazol-4-ylamine
CID 3748055
3-cyclohexyl-N-phenyl-2-propan-2-ylimidazo[4,5-g]quinazolin-8-amine
CID 25198679
Diphenylmethyl piperazinylbenzimidazole
CID 13105518
3-[2-(2,4-Diaminoquinazolin-7-yl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 67889360
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-((3-(1-methyl-1H-benzo[d]imidazol-6-yl)phenyl)amino)propan-2-ol
CID 86729247
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-((6-(1-methyl-1H-benzo[d]imidazol-6-yl)pyridin-2-yl)amino)propan-2-ol
CID 86729256
N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-N-(3-(1-methyl-1H-benzo[d]imidazol-6-yl)phenyl)acetamide
CID 86729307
1-(3,4-Dihydroisoquinolin-2(1H)-yl)-3-((4-(1-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)amino)propan-2-ol
CID 90241740

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-diamino-5-(1-cyclohexylbenzimidazol-5-yl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[3,4-diamino-5-(1-cyclohexylbenzimidazol-5-yl)phenyl]piperidin-4-ol (CID 118338713) is 1-[3,4-diamino-5-(1-cyclohexylbenzimidazol-5-yl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[3,4-diamino-5-(1-cyclohexylbenzimidazol-5-yl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[3,4-diamino-5-(1-cyclohexylbenzimidazol-5-yl)phenyl]piperidin-4-ol is Nc1cc(N2CCC(O)CC2)cc(-c2ccc3c(c2)ncn3C2CCCCC2)c1N.
What is the InChIKey of 1-[3,4-diamino-5-(1-cyclohexylbenzimidazol-5-yl)phenyl]piperidin-4-ol?
The InChIKey is KIYVLJYXUOBVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c25-21-14-18(28-10-8-19(30)9-11-28)13-20(24(21)26)16-6-7-23-22(12-16)27-15-29(23)17-4-2-1-3-5-17/h6-7,12-15,17,19,30H,1-5,8-11,25-26H2.
What are the key properties of 1-[3,4-diamino-5-(1-cyclohexylbenzimidazol-5-yl)phenyl]piperidin-4-ol?
1-[3,4-diamino-5-(1-cyclohexylbenzimidazol-5-yl)phenyl]piperidin-4-ol has a molecular weight of 405.55 g/mol, XLogP of 4.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-diamino-5-(1-cyclohexylbenzimidazol-5-yl)phenyl]piperidin-4-ol is sourced from PubChem (CID 118338713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).