3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine

C18H28ClN3 — CID 46308838

IUPAC3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine
SMILESCCC(C)c1nc2cc(Cl)ccc2n1CCCN(CC)CC
InChIInChI=1S/C18H28ClN3/c1-5-14(4)18-20-16-13-15(19)9-10-17(16)22(18)12-8-11-21(6-2)7-3/h9-10,13-14H,5-8,11-12H2,1-4H3
InChIKeyMZYFPQBKGRWAHA-UHFFFAOYSA-N
MW321.90 g/mol
LogP4.94
Rot. Bonds8

About 3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine

3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine (PubChem CID 46308838) has the molecular formula C18H28ClN3 and a molecular weight of 321.90 g/mol. Its IUPAC name is 3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine
PubChem CID46308838
Molecular FormulaC18H28ClN3
Molecular Weight321.90 g/mol
Exact Mass321.20
IUPAC Name3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine
SMILESCCC(C)c1nc2cc(Cl)ccc2n1CCCN(CC)CC
InChIInChI=1S/C18H28ClN3/c1-5-14(4)18-20-16-13-15(19)9-10-17(16)22(18)12-8-11-21(6-2)7-3/h9-10,13-14H,5-8,11-12H2,1-4H3
InChIKeyMZYFPQBKGRWAHA-UHFFFAOYSA-N
XLogP4.94
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.90
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine (CID 46308838) is 3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine is CCC(C)c1nc2cc(Cl)ccc2n1CCCN(CC)CC.
What is the InChIKey of 3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine?
The InChIKey is MZYFPQBKGRWAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3/c1-5-14(4)18-20-16-13-15(19)9-10-17(16)22(18)12-8-11-21(6-2)7-3/h9-10,13-14H,5-8,11-12H2,1-4H3.
What are the key properties of 3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine?
3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine has a molecular weight of 321.90 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 46308838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).