2-(chloromethyl)-5-methyl-1-pentylbenzimidazole

C14H19ClN2 — CID 43660022

IUPAC2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
SMILESCCCCCn1c(CCl)nc2cc(C)ccc21
InChIInChI=1S/C14H19ClN2/c1-3-4-5-8-17-13-7-6-11(2)9-12(13)16-14(17)10-15/h6-7,9H,3-5,8,10H2,1-2H3
InChIKeyUAPKRTMFEMWOPJ-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.27
Rot. Bonds5

About 2-(chloromethyl)-5-methyl-1-pentylbenzimidazole

2-(chloromethyl)-5-methyl-1-pentylbenzimidazole (PubChem CID 43660022) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-1-pentylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
PubChem CID43660022
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
SMILESCCCCCn1c(CCl)nc2cc(C)ccc21
InChIInChI=1S/C14H19ClN2/c1-3-4-5-8-17-13-7-6-11(2)9-12(13)16-14(17)10-15/h6-7,9H,3-5,8,10H2,1-2H3
InChIKeyUAPKRTMFEMWOPJ-UHFFFAOYSA-N
XLogP4.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202
(1-hexyl-5-methylbenzimidazol-2-yl)methanol
CID 82333270
2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol
CID 82333345
4-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333305
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine
CID 43660321
2-(chloromethyl)-5-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 63960619
2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole
CID 43660301
2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole
CID 61167651
2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62640925
N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333142
N-[2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 55097963

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-1-pentylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-5-methyl-1-pentylbenzimidazole (CID 43660022) is 2-(chloromethyl)-5-methyl-1-pentylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-1-pentylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-methyl-1-pentylbenzimidazole is CCCCCn1c(CCl)nc2cc(C)ccc21.
What is the InChIKey of 2-(chloromethyl)-5-methyl-1-pentylbenzimidazole?
The InChIKey is UAPKRTMFEMWOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-3-4-5-8-17-13-7-6-11(2)9-12(13)16-14(17)10-15/h6-7,9H,3-5,8,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-methyl-1-pentylbenzimidazole?
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole has a molecular weight of 250.77 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-1-pentylbenzimidazole is sourced from PubChem (CID 43660022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).