1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine

C16H22BrN3 — CID 61291013

IUPAC1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESCCCn1c(C2(N)CCCCC2)nc2cc(Br)ccc21
InChIInChI=1S/C16H22BrN3/c1-2-10-20-14-7-6-12(17)11-13(14)19-15(20)16(18)8-4-3-5-9-16/h6-7,11H,2-5,8-10,18H2,1H3
InChIKeySYBQAWHQRQUEMQ-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.33
Rot. Bonds3

About 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine

1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine (PubChem CID 61291013) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine
PubChem CID61291013
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESCCCn1c(C2(N)CCCCC2)nc2cc(Br)ccc21
InChIInChI=1S/C16H22BrN3/c1-2-10-20-14-7-6-12(17)11-13(14)19-15(20)16(18)8-4-3-5-9-16/h6-7,11H,2-5,8-10,18H2,1H3
InChIKeySYBQAWHQRQUEMQ-UHFFFAOYSA-N
XLogP4.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine (CID 61291013) is 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine is CCCn1c(C2(N)CCCCC2)nc2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is SYBQAWHQRQUEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-2-10-20-14-7-6-12(17)11-13(14)19-15(20)16(18)8-4-3-5-9-16/h6-7,11H,2-5,8-10,18H2,1H3.
What are the key properties of 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine?
1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 336.28 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 61291013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).