3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol

C17H27N3O — CID 82311836

IUPAC3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol
SMILESCCCCN(C)Cc1nc2cc(C)ccc2n1CCCO
InChIInChI=1S/C17H27N3O/c1-4-5-9-19(3)13-17-18-15-12-14(2)7-8-16(15)20(17)10-6-11-21/h7-8,12,21H,4-6,9-11,13H2,1-3H3
InChIKeyIZVVMQKPTWESLQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.96
Rot. Bonds8

About 3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol

3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol (PubChem CID 82311836) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol
PubChem CID82311836
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol
SMILESCCCCN(C)Cc1nc2cc(C)ccc2n1CCCO
InChIInChI=1S/C17H27N3O/c1-4-5-9-19(3)13-17-18-15-12-14(2)7-8-16(15)20(17)10-6-11-21/h7-8,12,21H,4-6,9-11,13H2,1-3H3
InChIKeyIZVVMQKPTWESLQ-UHFFFAOYSA-N
XLogP2.96
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-hexyl-5-methylbenzimidazol-2-yl)methanol
CID 82333270
N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 134084130
N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine
CID 82310769
2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82311668
[1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333288
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol
CID 82333345
[1-[2-(dimethylamino)ethyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333285
3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311837
2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid
CID 82310896
3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82332974
2-[2-[[carboxymethyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetic acid
CID 82310904

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol (CID 82311836) is 3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol is CCCCN(C)Cc1nc2cc(C)ccc2n1CCCO.
What is the InChIKey of 3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol?
The InChIKey is IZVVMQKPTWESLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-5-9-19(3)13-17-18-15-12-14(2)7-8-16(15)20(17)10-6-11-21/h7-8,12,21H,4-6,9-11,13H2,1-3H3.
What are the key properties of 3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol?
3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 82311836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).