(1-propan-2-ylbenzimidazol-5-yl)methanol

C11H14N2O — CID 68642679

IUPAC(1-propan-2-ylbenzimidazol-5-yl)methanol
SMILESCC(C)n1cnc2cc(CO)ccc21
InChIInChI=1S/C11H14N2O/c1-8(2)13-7-12-10-5-9(6-14)3-4-11(10)13/h3-5,7-8,14H,6H2,1-2H3
InChIKeyPCNZKBYMOJVLEY-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.11
Rot. Bonds2

About (1-propan-2-ylbenzimidazol-5-yl)methanol

(1-propan-2-ylbenzimidazol-5-yl)methanol (PubChem CID 68642679) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (1-propan-2-ylbenzimidazol-5-yl)methanol.

Molecular Properties

Compound Name(1-propan-2-ylbenzimidazol-5-yl)methanol
PubChem CID68642679
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(1-propan-2-ylbenzimidazol-5-yl)methanol
SMILESCC(C)n1cnc2cc(CO)ccc21
InChIInChI=1S/C11H14N2O/c1-8(2)13-7-12-10-5-9(6-14)3-4-11(10)13/h3-5,7-8,14H,6H2,1-2H3
InChIKeyPCNZKBYMOJVLEY-UHFFFAOYSA-N
XLogP2.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine
CID 82493458
2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol
CID 117336833
N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773039
2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844366
2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide
CID 110791708
N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773064
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785932
1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole
CID 82497436
3-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82498137
2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844785
1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide
CID 110785938
4-oxo-4-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82500461

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylbenzimidazol-5-yl)methanol?
The IUPAC name of (1-propan-2-ylbenzimidazol-5-yl)methanol (CID 68642679) is (1-propan-2-ylbenzimidazol-5-yl)methanol.
What is the SMILES notation for (1-propan-2-ylbenzimidazol-5-yl)methanol?
The canonical SMILES for (1-propan-2-ylbenzimidazol-5-yl)methanol is CC(C)n1cnc2cc(CO)ccc21.
What is the InChIKey of (1-propan-2-ylbenzimidazol-5-yl)methanol?
The InChIKey is PCNZKBYMOJVLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(2)13-7-12-10-5-9(6-14)3-4-11(10)13/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of (1-propan-2-ylbenzimidazol-5-yl)methanol?
(1-propan-2-ylbenzimidazol-5-yl)methanol has a molecular weight of 190.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylbenzimidazol-5-yl)methanol is sourced from PubChem (CID 68642679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).