3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol

C12H16ClN3O — CID 46308504

IUPAC3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol
SMILESNCCc1nc2ccc(Cl)cc2n1CCCO
InChIInChI=1S/C12H16ClN3O/c13-9-2-3-10-11(8-9)16(6-1-7-17)12(15-10)4-5-14/h2-3,8,17H,1,4-7,14H2
InChIKeyYBCHVPBBTRSFAV-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.57
Rot. Bonds5

About 3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol

3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol (PubChem CID 46308504) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol
PubChem CID46308504
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol
SMILESNCCc1nc2ccc(Cl)cc2n1CCCO
InChIInChI=1S/C12H16ClN3O/c13-9-2-3-10-11(8-9)16(6-1-7-17)12(15-10)4-5-14/h2-3,8,17H,1,4-7,14H2
InChIKeyYBCHVPBBTRSFAV-UHFFFAOYSA-N
XLogP1.57
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308503
2-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308639
2-[6-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanamine
CID 46309314
2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine
CID 46310938
3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine
CID 46308643
3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol
CID 46308166
4-[6-chloro-2-(hydroxymethyl)benzimidazol-1-yl]butanenitrile
CID 90103206
3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
CID 43822520
6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
CID 113316360
3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol
CID 46308458
2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308773
3-[5-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 46308571

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol (CID 46308504) is 3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol is NCCc1nc2ccc(Cl)cc2n1CCCO.
What is the InChIKey of 3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol?
The InChIKey is YBCHVPBBTRSFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-9-2-3-10-11(8-9)16(6-1-7-17)12(15-10)4-5-14/h2-3,8,17H,1,4-7,14H2.
What are the key properties of 3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol?
3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol has a molecular weight of 253.73 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 46308504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).