2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine

C16H24ClN3 — CID 115430234

IUPAC2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine
SMILESCCCn1c(C(CC)(CC)CN)nc2cc(Cl)ccc21
InChIInChI=1S/C16H24ClN3/c1-4-9-20-14-8-7-12(17)10-13(14)19-15(20)16(5-2,6-3)11-18/h7-8,10H,4-6,9,11,18H2,1-3H3
InChIKeyNFYMLGXIXGUTLO-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.12
Rot. Bonds6

About 2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine

2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine (PubChem CID 115430234) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine
PubChem CID115430234
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine
SMILESCCCn1c(C(CC)(CC)CN)nc2cc(Cl)ccc21
InChIInChI=1S/C16H24ClN3/c1-4-9-20-14-8-7-12(17)10-13(14)19-15(20)16(5-2,6-3)11-18/h7-8,10H,4-6,9,11,18H2,1-3H3
InChIKeyNFYMLGXIXGUTLO-UHFFFAOYSA-N
XLogP4.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine
CID 64669272
5-chloro-2-methyl-1-propylbenzimidazole
CID 46310722
5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine
CID 115472892
2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427809
5-(5-chloro-1-propylbenzimidazol-2-yl)-1H-pyrazol-3-amine
CID 64528085
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
[1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81162135
2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
CID 115430280
3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79873183
3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 62946902
3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 60784251

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine?
The IUPAC name of 2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine (CID 115430234) is 2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine.
What is the SMILES notation for 2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine?
The canonical SMILES for 2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine is CCCn1c(C(CC)(CC)CN)nc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine?
The InChIKey is NFYMLGXIXGUTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-4-9-20-14-8-7-12(17)10-13(14)19-15(20)16(5-2,6-3)11-18/h7-8,10H,4-6,9,11,18H2,1-3H3.
What are the key properties of 2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine?
2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine has a molecular weight of 293.84 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine is sourced from PubChem (CID 115430234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).