N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine

C15H20ClN3 — CID 102871457

IUPACN-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine
SMILESCn1c(N(CCCCl)C2CCC2)nc2ccccc21
InChIInChI=1S/C15H20ClN3/c1-18-14-9-3-2-8-13(14)17-15(18)19(11-5-10-16)12-6-4-7-12/h2-3,8-9,12H,4-7,10-11H2,1H3
InChIKeyNZPIEFCBFVVVCU-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.56
Rot. Bonds5

About N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine

N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine (PubChem CID 102871457) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine
PubChem CID102871457
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine
SMILESCn1c(N(CCCCl)C2CCC2)nc2ccccc21
InChIInChI=1S/C15H20ClN3/c1-18-14-9-3-2-8-13(14)17-15(18)19(11-5-10-16)12-6-4-7-12/h2-3,8-9,12H,4-7,10-11H2,1H3
InChIKeyNZPIEFCBFVVVCU-UHFFFAOYSA-N
XLogP3.56
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine
CID 102871425
N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine
CID 115144037
N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine
CID 102871366
N-butyl-N,1-dimethylbenzimidazol-2-amine
CID 71723450
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
N-(4-chlorobutyl)-1-methylbenzimidazol-2-amine
CID 106845045
N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine
CID 102871463
5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
CID 107203489
N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxamide
CID 86792753
1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine
CID 106643971
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
N-(3-chloropropyl)-N-cyclobutyl-2-methylsulfonylaniline
CID 102871484

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine (CID 102871457) is N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine is Cn1c(N(CCCCl)C2CCC2)nc2ccccc21.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine?
The InChIKey is NZPIEFCBFVVVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-18-14-9-3-2-8-13(14)17-15(18)19(11-5-10-16)12-6-4-7-12/h2-3,8-9,12H,4-7,10-11H2,1H3.
What are the key properties of N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine?
N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine has a molecular weight of 277.80 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 102871457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).