3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine

C14H20ClN3O — CID 103153975

IUPAC3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
SMILESCCCn1c(CC(CN)OC)nc2cccc(Cl)c21
InChIInChI=1S/C14H20ClN3O/c1-3-7-18-13(8-10(9-16)19-2)17-12-6-4-5-11(15)14(12)18/h4-6,10H,3,7-9,16H2,1-2H3
InChIKeySTXCIFBNWARSME-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.62
Rot. Bonds6

About 3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine

3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine (PubChem CID 103153975) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
PubChem CID103153975
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
SMILESCCCn1c(CC(CN)OC)nc2cccc(Cl)c21
InChIInChI=1S/C14H20ClN3O/c1-3-7-18-13(8-10(9-16)19-2)17-12-6-4-5-11(15)14(12)18/h4-6,10H,3,7-9,16H2,1-2H3
InChIKeySTXCIFBNWARSME-UHFFFAOYSA-N
XLogP2.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153970
[1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81161695
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methoxypropan-1-amine
CID 103153994
3-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 65345825
(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
CID 94958068
7-chloro-2-(chloromethyl)-1-(3-methylbutyl)benzimidazole
CID 43659958
3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine
CID 60786927
3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine
CID 103157437
3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60788262
2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 43659933
7-chloro-2-(chloromethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545399
2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79799186

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine?
The IUPAC name of 3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine (CID 103153975) is 3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine.
What is the SMILES notation for 3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine?
The canonical SMILES for 3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine is CCCn1c(CC(CN)OC)nc2cccc(Cl)c21.
What is the InChIKey of 3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine?
The InChIKey is STXCIFBNWARSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-7-18-13(8-10(9-16)19-2)17-12-6-4-5-11(15)14(12)18/h4-6,10H,3,7-9,16H2,1-2H3.
What are the key properties of 3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine?
3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine has a molecular weight of 281.79 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine is sourced from PubChem (CID 103153975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).