4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one

C20H16ClN3O2 — CID 134524171

IUPAC4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one
SMILESCOc1ccc(C2=C3N=C(N(C)C)N=C3c3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C20H16ClN3O2/c1-24(2)20-22-17-12-6-4-5-7-13(12)19(25)16(18(17)23-20)14-9-8-11(26-3)10-15(14)21/h4-10H,1-3H3
InChIKeyBENGSVASFLEXGZ-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.68
Rot. Bonds2

About 4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one

4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one (PubChem CID 134524171) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one.

Molecular Properties

Compound Name4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one
PubChem CID134524171
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one
SMILESCOc1ccc(C2=C3N=C(N(C)C)N=C3c3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C20H16ClN3O2/c1-24(2)20-22-17-12-6-4-5-7-13(12)19(25)16(18(17)23-20)14-9-8-11(26-3)10-15(14)21/h4-10H,1-3H3
InChIKeyBENGSVASFLEXGZ-UHFFFAOYSA-N
XLogP3.68
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-4-(2-fluoro-4-methoxyphenyl)benzo[e]benzimidazol-5-one
CID 146233041
2-[(dimethylamino)methyl]-4-(4-methoxy-2-methylphenyl)benzo[e]benzimidazol-5-one
CID 166804010
2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one
CID 163844038
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(dimethylamino)benzo[e]benzimidazol-5-one
CID 134536707
1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 119018458
4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid
CID 158745717
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
5-methoxy-2-[4-[4-(5-methoxy-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione
CID 171734451
1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 134628384
7-methoxy-10H-phenanthren-9-one
CID 135042116
1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene
CID 119001731
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one?
The IUPAC name of 4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one (CID 134524171) is 4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one.
What is the SMILES notation for 4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one?
The canonical SMILES for 4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one is COc1ccc(C2=C3N=C(N(C)C)N=C3c3ccccc3C2=O)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one?
The InChIKey is BENGSVASFLEXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-24(2)20-22-17-12-6-4-5-7-13(12)19(25)16(18(17)23-20)14-9-8-11(26-3)10-15(14)21/h4-10H,1-3H3.
What are the key properties of 4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one?
4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one has a molecular weight of 365.82 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one is sourced from PubChem (CID 134524171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).