2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol

C18H21N3O — CID 155774431

IUPAC2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol
SMILESCc1ccc(CCC(CO)n2c(N)nc3ccccc32)cc1
InChIInChI=1S/C18H21N3O/c1-13-6-8-14(9-7-13)10-11-15(12-22)21-17-5-3-2-4-16(17)20-18(21)19/h2-9,15,22H,10-12H2,1H3,(H2,19,20)
InChIKeyYVNSOVLCGBCJLB-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.09
Rot. Bonds5

About 2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol

2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol (PubChem CID 155774431) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol
PubChem CID155774431
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol
SMILESCc1ccc(CCC(CO)n2c(N)nc3ccccc32)cc1
InChIInChI=1S/C18H21N3O/c1-13-6-8-14(9-7-13)10-11-15(12-22)21-17-5-3-2-4-16(17)20-18(21)19/h2-9,15,22H,10-12H2,1H3,(H2,19,20)
InChIKeyYVNSOVLCGBCJLB-UHFFFAOYSA-N
XLogP3.09
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid
CID 82358989
1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine
CID 21484264
3-(2-aminobenzimidazol-1-yl)butan-2-one
CID 82358956
2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
CID 61480171
7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine
CID 115552403
2-[2-[2-(4-methylphenyl)ethyl]benzimidazol-1-yl]ethanethioamide
CID 39148199
methyl 2-(2-aminobenzimidazol-1-yl)butanoate
CID 82358918
1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine
CID 113493605
1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine
CID 64643418
propyl 2-(2-aminobenzimidazol-1-yl)propanoate
CID 82358921
2-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol
CID 130315848
N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 3715694

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol?
The IUPAC name of 2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol (CID 155774431) is 2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol.
What is the SMILES notation for 2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol?
The canonical SMILES for 2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol is Cc1ccc(CCC(CO)n2c(N)nc3ccccc32)cc1.
What is the InChIKey of 2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol?
The InChIKey is YVNSOVLCGBCJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-6-8-14(9-7-13)10-11-15(12-22)21-17-5-3-2-4-16(17)20-18(21)19/h2-9,15,22H,10-12H2,1H3,(H2,19,20).
What are the key properties of 2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol?
2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol is sourced from PubChem (CID 155774431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).