3-(1-methylbenzimidazol-2-yl)propan-1-ol

C11H14N2O — CID 4585215

IUPAC3-(1-methylbenzimidazol-2-yl)propan-1-ol
SMILESCn1c(CCCO)nc2ccccc21
InChIInChI=1S/C11H14N2O/c1-13-10-6-3-2-5-9(10)12-11(13)7-4-8-14/h2-3,5-6,14H,4,7-8H2,1H3
InChIKeyDFIWBBQMDHDFAS-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.50
Rot. Bonds3

About 3-(1-methylbenzimidazol-2-yl)propan-1-ol

3-(1-methylbenzimidazol-2-yl)propan-1-ol (PubChem CID 4585215) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(1-methylbenzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-methylbenzimidazol-2-yl)propan-1-ol
PubChem CID4585215
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-(1-methylbenzimidazol-2-yl)propan-1-ol
SMILESCn1c(CCCO)nc2ccccc21
InChIInChI=1S/C11H14N2O/c1-13-10-6-3-2-5-9(10)12-11(13)7-4-8-14/h2-3,5-6,14H,4,7-8H2,1H3
InChIKeyDFIWBBQMDHDFAS-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
3-(1-methylbenzimidazol-2-yl)propanoate
CID 7036074
2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole
CID 11737586
4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol
CID 111449850
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
CID 83962059
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylbenzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-(1-methylbenzimidazol-2-yl)propan-1-ol (CID 4585215) is 3-(1-methylbenzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1-methylbenzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(1-methylbenzimidazol-2-yl)propan-1-ol is Cn1c(CCCO)nc2ccccc21.
What is the InChIKey of 3-(1-methylbenzimidazol-2-yl)propan-1-ol?
The InChIKey is DFIWBBQMDHDFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13-10-6-3-2-5-9(10)12-11(13)7-4-8-14/h2-3,5-6,14H,4,7-8H2,1H3.
What are the key properties of 3-(1-methylbenzimidazol-2-yl)propan-1-ol?
3-(1-methylbenzimidazol-2-yl)propan-1-ol has a molecular weight of 190.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylbenzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 4585215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).