[1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine

C16H22ClN3 — CID 81161695

IUPAC[1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
SMILESCCCn1c(CC2(CN)CCC2)nc2cccc(Cl)c21
InChIInChI=1S/C16H22ClN3/c1-2-9-20-14(10-16(11-18)7-4-8-16)19-13-6-3-5-12(17)15(13)20/h3,5-6H,2,4,7-11,18H2,1H3
InChIKeyQBQVLJNMIZDPJS-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.77
Rot. Bonds5

About [1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine

[1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine (PubChem CID 81161695) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is [1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
PubChem CID81161695
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name[1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
SMILESCCCn1c(CC2(CN)CCC2)nc2cccc(Cl)c21
InChIInChI=1S/C16H22ClN3/c1-2-9-20-14(10-16(11-18)7-4-8-16)19-13-6-3-5-12(17)15(13)20/h3,5-6H,2,4,7-11,18H2,1H3
InChIKeyQBQVLJNMIZDPJS-UHFFFAOYSA-N
XLogP3.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81162135
1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79845623
[1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81162315
3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153975
1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine
CID 81161604
3-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 65345825
[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine
CID 113311165
[1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine
CID 115443673
1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine
CID 61290902
2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79799186
(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
CID 94958068
3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine
CID 60786927

Frequently Asked Questions

What is the IUPAC name of [1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine (CID 81161695) is [1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine is CCCn1c(CC2(CN)CCC2)nc2cccc(Cl)c21.
What is the InChIKey of [1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine?
The InChIKey is QBQVLJNMIZDPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-2-9-20-14(10-16(11-18)7-4-8-16)19-13-6-3-5-12(17)15(13)20/h3,5-6H,2,4,7-11,18H2,1H3.
What are the key properties of [1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine?
[1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine has a molecular weight of 291.83 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 81161695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).