N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide

C20H19N5O2 — CID 135982614

IUPACN-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1ccc2c(/N=N/C(=O)Cn3c(C)nc4ccccc43)c(O)[nH]c2c1C
InChIInChI=1S/C20H19N5O2/c1-11-8-9-14-18(12(11)2)22-20(27)19(14)24-23-17(26)10-25-13(3)21-15-6-4-5-7-16(15)25/h4-9,22,27H,10H2,1-3H3/b24-23+
InChIKeyFDHYIMGCBMOLKX-WCWDXBQESA-N
MW361.41 g/mol
LogP4.46
Rot. Bonds3

About N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide

N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 135982614) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID135982614
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1ccc2c(/N=N/C(=O)Cn3c(C)nc4ccccc43)c(O)[nH]c2c1C
InChIInChI=1S/C20H19N5O2/c1-11-8-9-14-18(12(11)2)22-20(27)19(14)24-23-17(26)10-25-13(3)21-15-6-4-5-7-16(15)25/h4-9,22,27H,10H2,1-3H3/b24-23+
InChIKeyFDHYIMGCBMOLKX-WCWDXBQESA-N
XLogP4.46
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 135816010
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 172653603
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 1399782
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
N-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide
CID 156757096
methyl 2-[2-hydroxy-3-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]diazenyl]indol-1-yl]acetate
CID 3755170
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121418
N-(2-cyanophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40689130
N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 127044969
(2-hydroxy-7-methyl-1H-indol-3-yl)iminourea
CID 788841

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide (CID 135982614) is N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1ccc2c(/N=N/C(=O)Cn3c(C)nc4ccccc43)c(O)[nH]c2c1C.
What is the InChIKey of N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is FDHYIMGCBMOLKX-WCWDXBQESA-N. The full InChI is InChI=1S/C20H19N5O2/c1-11-8-9-14-18(12(11)2)22-20(27)19(14)24-23-17(26)10-25-13(3)21-15-6-4-5-7-16(15)25/h4-9,22,27H,10H2,1-3H3/b24-23+.
What are the key properties of N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide?
N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 361.41 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 135982614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).