3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol

C17H17ClN2O — CID 61400386

IUPAC3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol
SMILESCCCn1c(Cc2cccc(O)c2)nc2cc(Cl)ccc21
InChIInChI=1S/C17H17ClN2O/c1-2-8-20-16-7-6-13(18)11-15(16)19-17(20)10-12-4-3-5-14(21)9-12/h3-7,9,11,21H,2,8,10H2,1H3
InChIKeyIKSWZVWQVVIWET-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.40
Rot. Bonds4

About 3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol

3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol (PubChem CID 61400386) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol
PubChem CID61400386
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol
SMILESCCCn1c(Cc2cccc(O)c2)nc2cc(Cl)ccc21
InChIInChI=1S/C17H17ClN2O/c1-2-8-20-16-7-6-13(18)11-15(16)19-17(20)10-12-4-3-5-14(21)9-12/h3-7,9,11,21H,2,8,10H2,1H3
InChIKeyIKSWZVWQVVIWET-UHFFFAOYSA-N
XLogP4.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
3-[(5-chloro-1-ethylbenzimidazol-2-yl)methyl]aniline
CID 65345508
3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol
CID 61400301
3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79873183
3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol
CID 82810464
5-chloro-2-methyl-1-propylbenzimidazole
CID 46310722
N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline
CID 106505787
3-[5-chloro-2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308852
5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 61372509
3-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 65345825
5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316362
5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol?
The IUPAC name of 3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol (CID 61400386) is 3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol.
What is the SMILES notation for 3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol?
The canonical SMILES for 3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol is CCCn1c(Cc2cccc(O)c2)nc2cc(Cl)ccc21.
What is the InChIKey of 3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol?
The InChIKey is IKSWZVWQVVIWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-2-8-20-16-7-6-13(18)11-15(16)19-17(20)10-12-4-3-5-14(21)9-12/h3-7,9,11,21H,2,8,10H2,1H3.
What are the key properties of 3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol?
3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol has a molecular weight of 300.79 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol is sourced from PubChem (CID 61400386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).