N-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine

C14H20ClN3 — CID 84640127

IUPACN-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine
SMILESCc1cc(Cl)c2nc(CCNC(C)C)n(C)c2c1
InChIInChI=1S/C14H20ClN3/c1-9(2)16-6-5-13-17-14-11(15)7-10(3)8-12(14)18(13)4/h7-9,16H,5-6H2,1-4H3
InChIKeyUPKFPRXLCVWUBB-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.08
Rot. Bonds4

About N-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine

N-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine (PubChem CID 84640127) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is N-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine
PubChem CID84640127
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC NameN-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine
SMILESCc1cc(Cl)c2nc(CCNC(C)C)n(C)c2c1
InChIInChI=1S/C14H20ClN3/c1-9(2)16-6-5-13-17-14-11(15)7-10(3)8-12(14)18(13)4/h7-9,16H,5-6H2,1-4H3
InChIKeyUPKFPRXLCVWUBB-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine
CID 84644324
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837982
N-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)ethyl]propan-2-amine
CID 114793422
N-[2-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 62549698
N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]propan-2-amine
CID 63756762
N-[2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84639383
N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
CID 82501546
(4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine
CID 84635115
N-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine
CID 82947806
2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid
CID 145203620
N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine
CID 114662779
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine (CID 84640127) is N-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine is Cc1cc(Cl)c2nc(CCNC(C)C)n(C)c2c1.
What is the InChIKey of N-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine?
The InChIKey is UPKFPRXLCVWUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-9(2)16-6-5-13-17-14-11(15)7-10(3)8-12(14)18(13)4/h7-9,16H,5-6H2,1-4H3.
What are the key properties of N-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine?
N-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine has a molecular weight of 265.79 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 84640127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).