[1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone

C22H15ClN4O — CID 10178250

IUPAC[1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone
SMILESO=C(c1nc2ccncc2[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C22H15ClN4O/c23-15-7-5-14(6-8-15)12-27-13-17(16-3-1-2-4-20(16)27)21(28)22-25-18-9-10-24-11-19(18)26-22/h1-11,13H,12H2,(H,25,26)
InChIKeySRFDPVOYTGHGJA-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.85
Rot. Bonds4

About [1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone

[1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone (PubChem CID 10178250) has the molecular formula C22H15ClN4O and a molecular weight of 386.84 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone
PubChem CID10178250
Molecular FormulaC22H15ClN4O
Molecular Weight386.84 g/mol
Exact Mass386.09
IUPAC Name[1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone
SMILESO=C(c1nc2ccncc2[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C22H15ClN4O/c23-15-7-5-14(6-8-15)12-27-13-17(16-3-1-2-4-20(16)27)21(28)22-25-18-9-10-24-11-19(18)26-22/h1-11,13H,12H2,(H,25,26)
InChIKeySRFDPVOYTGHGJA-UHFFFAOYSA-N
XLogP4.85
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone (CID 10178250) is [1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone is O=C(c1nc2ccncc2[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone?
The InChIKey is SRFDPVOYTGHGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O/c23-15-7-5-14(6-8-15)12-27-13-17(16-3-1-2-4-20(16)27)21(28)22-25-18-9-10-24-11-19(18)26-22/h1-11,13H,12H2,(H,25,26).
What are the key properties of [1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone?
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone has a molecular weight of 386.84 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone is sourced from PubChem (CID 10178250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).