[1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol

C14H21N3O — CID 82333288

IUPAC[1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol
SMILESCc1ccc2c(c1)nc(CO)n2CCCN(C)C
InChIInChI=1S/C14H21N3O/c1-11-5-6-13-12(9-11)15-14(10-18)17(13)8-4-7-16(2)3/h5-6,9,18H,4,7-8,10H2,1-3H3
InChIKeyKYHASMAANRSQNM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.79
Rot. Bonds5

About [1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol

[1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol (PubChem CID 82333288) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol
PubChem CID82333288
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol
SMILESCc1ccc2c(c1)nc(CO)n2CCCN(C)C
InChIInChI=1S/C14H21N3O/c1-11-5-6-13-12(9-11)15-14(10-18)17(13)8-4-7-16(2)3/h5-6,9,18H,4,7-8,10H2,1-3H3
InChIKeyKYHASMAANRSQNM-UHFFFAOYSA-N
XLogP1.79
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(dimethylamino)ethyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333285
3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82332974
(1-hexyl-5-methylbenzimidazol-2-yl)methanol
CID 82333270
[1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol
CID 82335370
[5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol
CID 82332822
3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol
CID 82311836
3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666496
[5-chloro-1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methanethiol
CID 82332768
2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82332966
2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82311668
[5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methanol
CID 82333264
2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol
CID 82333345

Frequently Asked Questions

What is the IUPAC name of [1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol?
The IUPAC name of [1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol (CID 82333288) is [1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol?
The canonical SMILES for [1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol is Cc1ccc2c(c1)nc(CO)n2CCCN(C)C.
What is the InChIKey of [1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol?
The InChIKey is KYHASMAANRSQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-5-6-13-12(9-11)15-14(10-18)17(13)8-4-7-16(2)3/h5-6,9,18H,4,7-8,10H2,1-3H3.
What are the key properties of [1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol?
[1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol has a molecular weight of 247.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol is sourced from PubChem (CID 82333288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).