2-butan-2-yl-5-chloro-1-propylbenzimidazole

C14H19ClN2 — CID 46310727

IUPAC2-butan-2-yl-5-chloro-1-propylbenzimidazole
SMILESCCCn1c(C(C)CC)nc2cc(Cl)ccc21
InChIInChI=1S/C14H19ClN2/c1-4-8-17-13-7-6-11(15)9-12(13)16-14(17)10(3)5-2/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyKYSARWWRBUYKGT-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.61
Rot. Bonds4

About 2-butan-2-yl-5-chloro-1-propylbenzimidazole

2-butan-2-yl-5-chloro-1-propylbenzimidazole (PubChem CID 46310727) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-butan-2-yl-5-chloro-1-propylbenzimidazole.

Molecular Properties

Compound Name2-butan-2-yl-5-chloro-1-propylbenzimidazole
PubChem CID46310727
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-butan-2-yl-5-chloro-1-propylbenzimidazole
SMILESCCCn1c(C(C)CC)nc2cc(Cl)ccc21
InChIInChI=1S/C14H19ClN2/c1-4-8-17-13-7-6-11(15)9-12(13)16-14(17)10(3)5-2/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyKYSARWWRBUYKGT-UHFFFAOYSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-butan-2-yl-5-chloro-1-propylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-chloro-1-propylbenzimidazole?
The IUPAC name of 2-butan-2-yl-5-chloro-1-propylbenzimidazole (CID 46310727) is 2-butan-2-yl-5-chloro-1-propylbenzimidazole.
What is the SMILES notation for 2-butan-2-yl-5-chloro-1-propylbenzimidazole?
The canonical SMILES for 2-butan-2-yl-5-chloro-1-propylbenzimidazole is CCCn1c(C(C)CC)nc2cc(Cl)ccc21.
What is the InChIKey of 2-butan-2-yl-5-chloro-1-propylbenzimidazole?
The InChIKey is KYSARWWRBUYKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-4-8-17-13-7-6-11(15)9-12(13)16-14(17)10(3)5-2/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-chloro-1-propylbenzimidazole?
2-butan-2-yl-5-chloro-1-propylbenzimidazole has a molecular weight of 250.77 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-chloro-1-propylbenzimidazole is sourced from PubChem (CID 46310727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).