N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine

C26H28N4 — CID 69272336

IUPACN-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine
SMILESCCn1c(Nc2ccccc2N2CCC(C)(C)c3ccccc32)nc2ccccc21
InChIInChI=1S/C26H28N4/c1-4-29-23-15-9-6-12-20(23)27-25(29)28-21-13-7-10-16-24(21)30-18-17-26(2,3)19-11-5-8-14-22(19)30/h5-16H,4,17-18H2,1-3H3,(H,27,28)
InChIKeyQSFGEPGNXSBQTB-UHFFFAOYSA-N
MW396.54 g/mol
LogP6.62
Rot. Bonds4

About N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine

N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine (PubChem CID 69272336) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine
PubChem CID69272336
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC NameN-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine
SMILESCCn1c(Nc2ccccc2N2CCC(C)(C)c3ccccc32)nc2ccccc21
InChIInChI=1S/C26H28N4/c1-4-29-23-15-9-6-12-20(23)27-25(29)28-21-13-7-10-16-24(21)30-18-17-26(2,3)19-11-5-8-14-22(19)30/h5-16H,4,17-18H2,1-3H3,(H,27,28)
InChIKeyQSFGEPGNXSBQTB-UHFFFAOYSA-N
XLogP6.62
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine
CID 91927564
1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine
CID 924376
N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
CID 924403
N-(2-methylphenyl)-1-propylbenzimidazol-2-amine
CID 829853
1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine
CID 4697787
1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 7342846
4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
CID 73051445
5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine
CID 142273017
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61366163
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765848
1-ethyl-N-(2-morpholin-4-ylethyl)benzimidazol-2-amine;dihydrochloride
CID 44888954
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine?
The IUPAC name of N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine (CID 69272336) is N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine.
What is the SMILES notation for N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine?
The canonical SMILES for N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine is CCn1c(Nc2ccccc2N2CCC(C)(C)c3ccccc32)nc2ccccc21.
What is the InChIKey of N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine?
The InChIKey is QSFGEPGNXSBQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c1-4-29-23-15-9-6-12-20(23)27-25(29)28-21-13-7-10-16-24(21)30-18-17-26(2,3)19-11-5-8-14-22(19)30/h5-16H,4,17-18H2,1-3H3,(H,27,28).
What are the key properties of N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine?
N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine has a molecular weight of 396.54 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-1-ethylbenzimidazol-2-amine is sourced from PubChem (CID 69272336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).