N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C23H19N3O2 — CID 24512634

IUPACN-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)cc1)C1COc2ccccc2C1
InChIInChI=1S/C23H19N3O2/c27-23(17-13-16-5-1-4-8-22(16)28-14-17)25-18-9-11-19(12-10-18)26-15-24-20-6-2-3-7-21(20)26/h1-12,15,17H,13-14H2,(H,25,27)
InChIKeyPWMGHVAVWKZKGQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.22
Rot. Bonds3

About N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 24512634) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID24512634
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)cc1)C1COc2ccccc2C1
InChIInChI=1S/C23H19N3O2/c27-23(17-13-16-5-1-4-8-22(16)28-14-17)25-18-9-11-19(12-10-18)26-15-24-20-6-2-3-7-21(20)26/h1-12,15,17H,13-14H2,(H,25,27)
InChIKeyPWMGHVAVWKZKGQ-UHFFFAOYSA-N
XLogP4.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 41491419
(3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 25413455
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134042695
N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64795048
methyl 4-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate
CID 9243838
N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42883707
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
(2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride
CID 126785065
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
(2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120797183
N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55556169

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 24512634) is N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(-n2cnc3ccccc32)cc1)C1COc2ccccc2C1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is PWMGHVAVWKZKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-23(17-13-16-5-1-4-8-22(16)28-14-17)25-18-9-11-19(12-10-18)26-15-24-20-6-2-3-7-21(20)26/h1-12,15,17H,13-14H2,(H,25,27).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 24512634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).