2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine

C14H20ClN3 — CID 115472892

IUPAC2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine
SMILESCCCn1c(C(C)(N)CC)nc2ccc(Cl)cc21
InChIInChI=1S/C14H20ClN3/c1-4-8-18-12-9-10(15)6-7-11(12)17-13(18)14(3,16)5-2/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeySDTVRINNBZRMHD-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.68
Rot. Bonds4

About 2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine

2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine (PubChem CID 115472892) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine
PubChem CID115472892
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine
SMILESCCCn1c(C(C)(N)CC)nc2ccc(Cl)cc21
InChIInChI=1S/C14H20ClN3/c1-4-8-18-12-9-10(15)6-7-11(12)17-13(18)14(3,16)5-2/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeySDTVRINNBZRMHD-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79798291
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine
CID 115430234
1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine
CID 64669272
2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 115472729
1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine
CID 113316624
3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835456
4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline
CID 104698561
4-(6-chloro-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136885662
2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine
CID 79799093
1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine
CID 113316618
6-chloro-1-methyl-2-(trichloromethyl)benzimidazole
CID 131628985

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine?
The IUPAC name of 2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine (CID 115472892) is 2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine is CCCn1c(C(C)(N)CC)nc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine?
The InChIKey is SDTVRINNBZRMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-4-8-18-12-9-10(15)6-7-11(12)17-13(18)14(3,16)5-2/h6-7,9H,4-5,8,16H2,1-3H3.
What are the key properties of 2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine?
2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine has a molecular weight of 265.79 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 115472892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).