11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide

C18H18ClN3O — CID 89417880

IUPAC11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide
SMILESCC1(C)CCc2c(c(Cl)n3c(nc4ccccc43)c2C(N)=O)C1
InChIInChI=1S/C18H18ClN3O/c1-18(2)8-7-10-11(9-18)15(19)22-13-6-4-3-5-12(13)21-17(22)14(10)16(20)23/h3-6H,7-9H2,1-2H3,(H2,20,23)
InChIKeyYYQJQVHQTOHNDG-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.75
Rot. Bonds1

About 11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide

11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide (PubChem CID 89417880) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is 11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide.

Molecular Properties

Compound Name11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide
PubChem CID89417880
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC Name11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide
SMILESCC1(C)CCc2c(c(Cl)n3c(nc4ccccc43)c2C(N)=O)C1
InChIInChI=1S/C18H18ClN3O/c1-18(2)8-7-10-11(9-18)15(19)22-13-6-4-3-5-12(13)21-17(22)14(10)16(20)23/h3-6H,7-9H2,1-2H3,(H2,20,23)
InChIKeyYYQJQVHQTOHNDG-UHFFFAOYSA-N
XLogP3.75
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide with MolForge

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Related Compounds

16-[(3S,4R)-3-fluoro-4-(hydroxymethyl)-4-methoxypiperidin-1-yl]-13,13-dimethyl-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide
CID 71274869
16-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide
CID 71275222
16-[4-cyano-4-(hydroxymethyl)piperidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carboxamide
CID 71276920
3-[4-(hydroxymethyl)-4-methoxypiperidin-1-yl]-4,11-diazapentacyclo[13.2.1.02,14.04,12.05,10]octadeca-2,5,7,9,11,13-hexaene-13-carboxamide
CID 54588471
3-(4-carbamoyl-1,3-dimethylpyrido[1,2-a]benzimidazol-2-yl)propanoic acid
CID 4737227
11-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile;methane
CID 161336586
[1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone
CID 25270361
[1-(benzotriazol-1-yloxy)cyclopropyl]-phenylmethanone
CID 25270363
1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-2-methylsulfinylpyrido[1,2-a]benzimidazole-4-carboxamide;hydrochloride
CID 162331424
[1-(4-methyl-3-oxoquinoxalin-2-yl)cyclopentyl] carbamate
CID 175171148
2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 144930615
1-tert-butyl-3-(4-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)urea
CID 10914158

Frequently Asked Questions

What is the IUPAC name of 11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide?
The IUPAC name of 11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide (CID 89417880) is 11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide.
What is the SMILES notation for 11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide?
The canonical SMILES for 11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide is CC1(C)CCc2c(c(Cl)n3c(nc4ccccc43)c2C(N)=O)C1.
What is the InChIKey of 11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide?
The InChIKey is YYQJQVHQTOHNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-18(2)8-7-10-11(9-18)15(19)22-13-6-4-3-5-12(13)21-17(22)14(10)16(20)23/h3-6H,7-9H2,1-2H3,(H2,20,23).
What are the key properties of 11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide?
11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide has a molecular weight of 327.81 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-9,9-dimethyl-8,10-dihydro-7H-benzimidazolo[1,2-b]isoquinoline-6-carboxamide is sourced from PubChem (CID 89417880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).