2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole

C14H19ClN2 — CID 82334173

IUPAC2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole
SMILESCCCn1c(CCl)nc2cc(C(C)C)ccc21
InChIInChI=1S/C14H19ClN2/c1-4-7-17-13-6-5-11(10(2)3)8-12(13)16-14(17)9-15/h5-6,8,10H,4,7,9H2,1-3H3
InChIKeyXVDBIMSLLBJOPQ-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.31
Rot. Bonds4

About 2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole

2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole (PubChem CID 82334173) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole
PubChem CID82334173
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole
SMILESCCCn1c(CCl)nc2cc(C(C)C)ccc21
InChIInChI=1S/C14H19ClN2/c1-4-7-17-13-6-5-11(10(2)3)8-12(13)16-14(17)9-15/h5-6,8,10H,4,7,9H2,1-3H3
InChIKeyXVDBIMSLLBJOPQ-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
2-(chloromethyl)-5-ethoxy-1-propylbenzimidazole
CID 82334898
3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 82333924
3-(1-pentyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334105
[1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334160
2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
CID 62378241
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333974
[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334161
5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202
5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
2-[1-(3-oxobutyl)-5-propan-2-ylbenzimidazol-2-yl]acetic acid
CID 82333903

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole (CID 82334173) is 2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole is CCCn1c(CCl)nc2cc(C(C)C)ccc21.
What is the InChIKey of 2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole?
The InChIKey is XVDBIMSLLBJOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-4-7-17-13-6-5-11(10(2)3)8-12(13)16-14(17)9-15/h5-6,8,10H,4,7,9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole?
2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole has a molecular weight of 250.77 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole is sourced from PubChem (CID 82334173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).