N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide

C24H24ClN3O2 — CID 10202415

IUPACN-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCc1c(C(=O)Nn2c(-c3ccccc3Cl)nc3c2CCCC3)ccc2c1CCCO2
InChIInChI=1S/C24H24ClN3O2/c1-15-16-8-6-14-30-22(16)13-12-17(15)24(29)27-28-21-11-5-4-10-20(21)26-23(28)18-7-2-3-9-19(18)25/h2-3,7,9,12-13H,4-6,8,10-11,14H2,1H3,(H,27,29)
InChIKeyNTUSXPXTKAHFOM-UHFFFAOYSA-N
MW421.93 g/mol
LogP5.10
Rot. Bonds3

About N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide

N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 10202415) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID10202415
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC NameN-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCc1c(C(=O)Nn2c(-c3ccccc3Cl)nc3c2CCCC3)ccc2c1CCCO2
InChIInChI=1S/C24H24ClN3O2/c1-15-16-8-6-14-30-22(16)13-12-17(15)24(29)27-28-21-11-5-4-10-20(21)26-23(28)18-7-2-3-9-19(18)25/h2-3,7,9,12-13H,4-6,8,10-11,14H2,1H3,(H,27,29)
InChIKeyNTUSXPXTKAHFOM-UHFFFAOYSA-N
XLogP5.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide (CID 10202415) is N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide is Cc1c(C(=O)Nn2c(-c3ccccc3Cl)nc3c2CCCC3)ccc2c1CCCO2.
What is the InChIKey of N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is NTUSXPXTKAHFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-15-16-8-6-14-30-22(16)13-12-17(15)24(29)27-28-21-11-5-4-10-20(21)26-23(28)18-7-2-3-9-19(18)25/h2-3,7,9,12-13H,4-6,8,10-11,14H2,1H3,(H,27,29).
What are the key properties of N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 421.93 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 10202415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).