4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol

C17H17ClN2O — CID 60785204

IUPAC4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
SMILESCC(C)n1c(Cc2ccc(O)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C17H17ClN2O/c1-11(2)20-16-8-5-13(18)10-15(16)19-17(20)9-12-3-6-14(21)7-4-12/h3-8,10-11,21H,9H2,1-2H3
InChIKeyFUIBRZSGLMYRNL-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.57
Rot. Bonds3

About 4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol

4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol (PubChem CID 60785204) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
PubChem CID60785204
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
SMILESCC(C)n1c(Cc2ccc(O)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C17H17ClN2O/c1-11(2)20-16-8-5-13(18)10-15(16)19-17(20)9-12-3-6-14(21)7-4-12/h3-8,10-11,21H,9H2,1-2H3
InChIKeyFUIBRZSGLMYRNL-UHFFFAOYSA-N
XLogP4.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 83868113
4-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 115473043
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole
CID 46310630
4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
CID 60784171
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol
CID 136750866
5-chloro-1-propan-2-ylbenzimidazole-2-carbaldehyde
CID 50877058
2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole
CID 5016671
N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 60837684
5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol
CID 82333770
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 61266514

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol?
The IUPAC name of 4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol (CID 60785204) is 4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol.
What is the SMILES notation for 4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol?
The canonical SMILES for 4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol is CC(C)n1c(Cc2ccc(O)cc2)nc2cc(Cl)ccc21.
What is the InChIKey of 4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol?
The InChIKey is FUIBRZSGLMYRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11(2)20-16-8-5-13(18)10-15(16)19-17(20)9-12-3-6-14(21)7-4-12/h3-8,10-11,21H,9H2,1-2H3.
What are the key properties of 4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol?
4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol has a molecular weight of 300.79 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol is sourced from PubChem (CID 60785204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).