4-(5,6-dichloro-1,3-diethyl-2H-benzimidazol-2-yl)-N,N-diethylbuta-1,3-dien-1-amine

C19H27Cl2N3 — CID 57057485

IUPAC4-(5,6-dichloro-1,3-diethyl-2H-benzimidazol-2-yl)-N,N-diethylbuta-1,3-dien-1-amine
SMILESCCN(C=CC=CC1N(CC)c2cc(Cl)c(Cl)cc2N1CC)CC
InChIInChI=1S/C19H27Cl2N3/c1-5-22(6-2)12-10-9-11-19-23(7-3)17-13-15(20)16(21)14-18(17)24(19)8-4/h9-14,19H,5-8H2,1-4H3
InChIKeyBFPWDRAEOYWCFG-UHFFFAOYSA-N
MW368.35 g/mol
LogP5.40
Rot. Bonds7

About 4-(5,6-dichloro-1,3-diethyl-2H-benzimidazol-2-yl)-N,N-diethylbuta-1,3-dien-1-amine

4-(5,6-dichloro-1,3-diethyl-2H-benzimidazol-2-yl)-N,N-diethylbuta-1,3-dien-1-amine (PubChem CID 57057485) has the molecular formula C19H27Cl2N3 and a molecular weight of 368.35 g/mol. Its IUPAC name is 4-(5,6-dichloro-1,3-diethyl-2H-benzimidazol-2-yl)-N,N-diethylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name4-(5,6-dichloro-1,3-diethyl-2H-benzimidazol-2-yl)-N,N-diethylbuta-1,3-dien-1-amine
PubChem CID57057485
Molecular FormulaC19H27Cl2N3
Molecular Weight368.35 g/mol
Exact Mass367.16
IUPAC Name4-(5,6-dichloro-1,3-diethyl-2H-benzimidazol-2-yl)-N,N-diethylbuta-1,3-dien-1-amine
SMILESCCN(C=CC=CC1N(CC)c2cc(Cl)c(Cl)cc2N1CC)CC
InChIInChI=1S/C19H27Cl2N3/c1-5-22(6-2)12-10-9-11-19-23(7-3)17-13-15(20)16(21)14-18(17)24(19)8-4/h9-14,19H,5-8H2,1-4H3
InChIKeyBFPWDRAEOYWCFG-UHFFFAOYSA-N
XLogP5.40
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.35
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-1,3-diethyl-2H-benzimidazol-2-yl)-N,N-diethylbuta-1,3-dien-1-amine?
The IUPAC name of 4-(5,6-dichloro-1,3-diethyl-2H-benzimidazol-2-yl)-N,N-diethylbuta-1,3-dien-1-amine (CID 57057485) is 4-(5,6-dichloro-1,3-diethyl-2H-benzimidazol-2-yl)-N,N-diethylbuta-1,3-dien-1-amine.
What is the SMILES notation for 4-(5,6-dichloro-1,3-diethyl-2H-benzimidazol-2-yl)-N,N-diethylbuta-1,3-dien-1-amine?
The canonical SMILES for 4-(5,6-dichloro-1,3-diethyl-2H-benzimidazol-2-yl)-N,N-diethylbuta-1,3-dien-1-amine is CCN(C=CC=CC1N(CC)c2cc(Cl)c(Cl)cc2N1CC)CC.
What is the InChIKey of 4-(5,6-dichloro-1,3-diethyl-2H-benzimidazol-2-yl)-N,N-diethylbuta-1,3-dien-1-amine?
The InChIKey is BFPWDRAEOYWCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Cl2N3/c1-5-22(6-2)12-10-9-11-19-23(7-3)17-13-15(20)16(21)14-18(17)24(19)8-4/h9-14,19H,5-8H2,1-4H3.
What are the key properties of 4-(5,6-dichloro-1,3-diethyl-2H-benzimidazol-2-yl)-N,N-diethylbuta-1,3-dien-1-amine?
4-(5,6-dichloro-1,3-diethyl-2H-benzimidazol-2-yl)-N,N-diethylbuta-1,3-dien-1-amine has a molecular weight of 368.35 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-1,3-diethyl-2H-benzimidazol-2-yl)-N,N-diethylbuta-1,3-dien-1-amine is sourced from PubChem (CID 57057485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).