4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine

C22H30N4 — CID 4697855

IUPAC4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine
SMILESCCCCCn1c(Nc2ccc(N(CC)CC)cc2)nc2ccccc21
InChIInChI=1S/C22H30N4/c1-4-7-10-17-26-21-12-9-8-11-20(21)24-22(26)23-18-13-15-19(16-14-18)25(5-2)6-3/h8-9,11-16H,4-7,10,17H2,1-3H3,(H,23,24)
InChIKeyCFVAVNWPVJKMAP-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.82
Rot. Bonds9

About 4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine

4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine (PubChem CID 4697855) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine
PubChem CID4697855
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine
SMILESCCCCCn1c(Nc2ccc(N(CC)CC)cc2)nc2ccccc21
InChIInChI=1S/C22H30N4/c1-4-7-10-17-26-21-12-9-8-11-20(21)24-22(26)23-18-13-15-19(16-14-18)25(5-2)6-3/h8-9,11-16H,4-7,10,17H2,1-3H3,(H,23,24)
InChIKeyCFVAVNWPVJKMAP-UHFFFAOYSA-N
XLogP5.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine
CID 4697797
(1-pentylbenzimidazol-2-yl)hydrazine
CID 4136867
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine
CID 4697787
CID 70326426
CID 70326426
2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium
CID 7010805
1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine
CID 924376
N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
CID 924403
3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide
CID 2852129
2-[[(1-hexylbenzimidazol-2-yl)amino]methyl]phenol
CID 3442786
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
2-(2-anilinobenzimidazol-1-yl)ethanethiol
CID 135270626

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine (CID 4697855) is 4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine is CCCCCn1c(Nc2ccc(N(CC)CC)cc2)nc2ccccc21.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine?
The InChIKey is CFVAVNWPVJKMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-4-7-10-17-26-21-12-9-8-11-20(21)24-22(26)23-18-13-15-19(16-14-18)25(5-2)6-3/h8-9,11-16H,4-7,10,17H2,1-3H3,(H,23,24).
What are the key properties of 4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine has a molecular weight of 350.51 g/mol, XLogP of 5.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 4697855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).