1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide

C27H25N5O — CID 3882567

IUPAC1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)NN=Cc3c(-c4ccccc4)n(C)c4ccccc34)ccc21
InChIInChI=1S/C27H25N5O/c1-4-32-18(2)29-23-16-20(14-15-25(23)32)27(33)30-28-17-22-21-12-8-9-13-24(21)31(3)26(22)19-10-6-5-7-11-19/h5-17H,4H2,1-3H3,(H,30,33)
InChIKeyKCKQDQJBTDYYDG-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.29
Rot. Bonds5

About 1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide

1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide (PubChem CID 3882567) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide
PubChem CID3882567
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)NN=Cc3c(-c4ccccc4)n(C)c4ccccc34)ccc21
InChIInChI=1S/C27H25N5O/c1-4-32-18(2)29-23-16-20(14-15-25(23)32)27(33)30-28-17-22-21-12-8-9-13-24(21)31(3)26(22)19-10-6-5-7-11-19/h5-17H,4H2,1-3H3,(H,30,33)
InChIKeyKCKQDQJBTDYYDG-UHFFFAOYSA-N
XLogP5.29
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzimidazole-5-carboxamide
CID 4680774
1-ethyl-N-[(2-hydroxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2641917
4-[(Z)-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6085667
1-ethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 136721256
N-[(2-bromophenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 5235917
4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide
CID 2443438
1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide
CID 4210674
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 42991014
1-ethyl-N-[(4-methoxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2323425
N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 3909937
1-ethyl-2-methyl-N-[(2-nitrophenyl)methylideneamino]benzimidazole-5-carboxamide
CID 2588560
N-[(4-acetamidophenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 2368148

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide?
The IUPAC name of 1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide (CID 3882567) is 1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide is CCn1c(C)nc2cc(C(=O)NN=Cc3c(-c4ccccc4)n(C)c4ccccc34)ccc21.
What is the InChIKey of 1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide?
The InChIKey is KCKQDQJBTDYYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-4-32-18(2)29-23-16-20(14-15-25(23)32)27(33)30-28-17-22-21-12-8-9-13-24(21)31(3)26(22)19-10-6-5-7-11-19/h5-17H,4H2,1-3H3,(H,30,33).
What are the key properties of 1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide?
1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide is sourced from PubChem (CID 3882567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).