[1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine

C17H24ClN3 — CID 115443673

IUPAC[1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine
SMILESCCn1c(C2(CN)CCCCCC2)nc2cccc(Cl)c21
InChIInChI=1S/C17H24ClN3/c1-2-21-15-13(18)8-7-9-14(15)20-16(21)17(12-19)10-5-3-4-6-11-17/h7-9H,2-6,10-12,19H2,1H3
InChIKeyUTDPKXPRIZFTTA-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.26
Rot. Bonds3

About [1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine

[1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine (PubChem CID 115443673) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is [1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine
PubChem CID115443673
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name[1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine
SMILESCCn1c(C2(CN)CCCCCC2)nc2cccc(Cl)c21
InChIInChI=1S/C17H24ClN3/c1-2-21-15-13(18)8-7-9-14(15)20-16(21)17(12-19)10-5-3-4-6-11-17/h7-9H,2-6,10-12,19H2,1H3
InChIKeyUTDPKXPRIZFTTA-UHFFFAOYSA-N
XLogP4.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine
CID 113311165
1-(7-chloro-1-ethylbenzimidazol-2-yl)cyclobutan-1-amine
CID 81161604
7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole
CID 63133897
[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450565
1-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine
CID 61292381
1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79845623
[1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436209
[1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436238
7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole
CID 63144457
[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)cyclopentyl]methanamine
CID 115433491
[1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine
CID 115443651
[1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 113309672

Frequently Asked Questions

What is the IUPAC name of [1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine?
The IUPAC name of [1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine (CID 115443673) is [1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine.
What is the SMILES notation for [1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine?
The canonical SMILES for [1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine is CCn1c(C2(CN)CCCCCC2)nc2cccc(Cl)c21.
What is the InChIKey of [1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine?
The InChIKey is UTDPKXPRIZFTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-2-21-15-13(18)8-7-9-14(15)20-16(21)17(12-19)10-5-3-4-6-11-17/h7-9H,2-6,10-12,19H2,1H3.
What are the key properties of [1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine?
[1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine has a molecular weight of 305.85 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine is sourced from PubChem (CID 115443673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).