(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-imidazol-2-yl)methanone

C15H12Cl2N4O — CID 169197002

IUPAC(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-imidazol-2-yl)methanone
SMILESO=C(c1ncc[nH]1)N1CCc2[nH]c3c(Cl)c(Cl)ccc3c2C1
InChIInChI=1S/C15H12Cl2N4O/c16-10-2-1-8-9-7-21(15(22)14-18-4-5-19-14)6-3-11(9)20-13(8)12(10)17/h1-2,4-5,20H,3,6-7H2,(H,18,19)
InChIKeyMUAXVHXUKCQBLQ-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.40
Rot. Bonds1

About (6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-imidazol-2-yl)methanone

(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-imidazol-2-yl)methanone (PubChem CID 169197002) has the molecular formula C15H12Cl2N4O and a molecular weight of 335.19 g/mol. Its IUPAC name is (6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-imidazol-2-yl)methanone
PubChem CID169197002
Molecular FormulaC15H12Cl2N4O
Molecular Weight335.19 g/mol
Exact Mass334.04
IUPAC Name(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-imidazol-2-yl)methanone
SMILESO=C(c1ncc[nH]1)N1CCc2[nH]c3c(Cl)c(Cl)ccc3c2C1
InChIInChI=1S/C15H12Cl2N4O/c16-10-2-1-8-9-7-21(15(22)14-18-4-5-19-14)6-3-11(9)20-13(8)12(10)17/h1-2,4-5,20H,3,6-7H2,(H,18,19)
InChIKeyMUAXVHXUKCQBLQ-UHFFFAOYSA-N
XLogP3.40
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-[2-(dimethylamino)ethyl-methylamino]pyrimidin-2-yl]methanone
CID 169197011
2-[(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl]-1H-pyrimidin-6-one
CID 169197364
(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methoxy-4-pyridinyl)methanone
CID 70781886
(5-chloro-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-13-yl)-phenylmethanone
CID 19102708
[(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone
CID 169197088
6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;sulfuric acid
CID 170170514
(2-tert-butylpyrimidin-5-yl)-(6,7-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 46964909
(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone
CID 110667856
7-chloro-6-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one
CID 53337549
(2-chlorophenyl)-(12-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)methanone
CID 46843289
(6,8-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 146086281
[6,7-dichloro-1-(methoxymethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-(5-methoxypyrimidin-2-yl)methanone
CID 170170541

Frequently Asked Questions

What is the IUPAC name of (6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-imidazol-2-yl)methanone?
The IUPAC name of (6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-imidazol-2-yl)methanone (CID 169197002) is (6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-imidazol-2-yl)methanone.
What is the SMILES notation for (6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-imidazol-2-yl)methanone?
The canonical SMILES for (6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-imidazol-2-yl)methanone is O=C(c1ncc[nH]1)N1CCc2[nH]c3c(Cl)c(Cl)ccc3c2C1.
What is the InChIKey of (6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-imidazol-2-yl)methanone?
The InChIKey is MUAXVHXUKCQBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O/c16-10-2-1-8-9-7-21(15(22)14-18-4-5-19-14)6-3-11(9)20-13(8)12(10)17/h1-2,4-5,20H,3,6-7H2,(H,18,19).
What are the key properties of (6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-imidazol-2-yl)methanone?
(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-imidazol-2-yl)methanone has a molecular weight of 335.19 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 169197002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).