N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine

C19H19N5 — CID 110511979

IUPACN-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
SMILESCCn1cc(/C=N\Nc2nc3ccc(C)cc3[nH]2)c2ccccc21
InChIInChI=1S/C19H19N5/c1-3-24-12-14(15-6-4-5-7-18(15)24)11-20-23-19-21-16-9-8-13(2)10-17(16)22-19/h4-12H,3H2,1-2H3,(H2,21,22,23)/b20-11-
InChIKeyKOJFDLRJCSBLOB-JAIQZWGSSA-N
MW317.40 g/mol
LogP4.29
Rot. Bonds4

About N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine

N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine (PubChem CID 110511979) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
PubChem CID110511979
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC NameN-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
SMILESCCn1cc(/C=N\Nc2nc3ccc(C)cc3[nH]2)c2ccccc21
InChIInChI=1S/C19H19N5/c1-3-24-12-14(15-6-4-5-7-18(15)24)11-20-23-19-21-16-9-8-13(2)10-17(16)22-19/h4-12H,3H2,1-2H3,(H2,21,22,23)/b20-11-
InChIKeyKOJFDLRJCSBLOB-JAIQZWGSSA-N
XLogP4.29
TPSA58.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110512019
6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine
CID 110512014
6-methyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 110511816
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511818
5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 110514494
2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
CID 126364382
3-chloro-N-[(E)-(1-ethylindol-3-yl)methylideneamino]-4-methylaniline
CID 110506575
2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136787411
6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 110511992
N-[(E)-(1-ethylindol-3-yl)methylideneamino]-4-nitroaniline
CID 110506443
N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511995
N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781507

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine (CID 110511979) is N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine is CCn1cc(/C=N\Nc2nc3ccc(C)cc3[nH]2)c2ccccc21.
What is the InChIKey of N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine?
The InChIKey is KOJFDLRJCSBLOB-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H19N5/c1-3-24-12-14(15-6-4-5-7-18(15)24)11-20-23-19-21-16-9-8-13(2)10-17(16)22-19/h4-12H,3H2,1-2H3,(H2,21,22,23)/b20-11-.
What are the key properties of N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine?
N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine has a molecular weight of 317.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 110511979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).