3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol

C17H27N3O — CID 82311878

IUPAC3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol
SMILESCCCCN(C)C(C)c1nc2ccccc2n1CCCO
InChIInChI=1S/C17H27N3O/c1-4-5-11-19(3)14(2)17-18-15-9-6-7-10-16(15)20(17)12-8-13-21/h6-7,9-10,14,21H,4-5,8,11-13H2,1-3H3
InChIKeyDPQCMGVZULGSGV-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.21
Rot. Bonds8

About 3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol

3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol (PubChem CID 82311878) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol
PubChem CID82311878
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol
SMILESCCCCN(C)C(C)c1nc2ccccc2n1CCCO
InChIInChI=1S/C17H27N3O/c1-4-5-11-19(3)14(2)17-18-15-9-6-7-10-16(15)20(17)12-8-13-21/h6-7,9-10,14,21H,4-5,8,11-13H2,1-3H3
InChIKeyDPQCMGVZULGSGV-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311877
3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol
CID 82311869
2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide
CID 82311925
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid
CID 82311950
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol
CID 82311798
1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole
CID 101260842
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
2-[2-[1-[butyl(methyl)amino]propyl]benzimidazol-1-yl]acetonitrile
CID 82311251
2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile
CID 82311258

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol (CID 82311878) is 3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol is CCCCN(C)C(C)c1nc2ccccc2n1CCCO.
What is the InChIKey of 3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol?
The InChIKey is DPQCMGVZULGSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-5-11-19(3)14(2)17-18-15-9-6-7-10-16(15)20(17)12-8-13-21/h6-7,9-10,14,21H,4-5,8,11-13H2,1-3H3.
What are the key properties of 3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol?
3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 82311878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).