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

C23H19N3O2 — CID 134040998

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1COc2ccccc2C1
InChIInChI=1S/C23H19N3O2/c27-23(17-12-15-6-1-4-11-21(15)28-14-17)24-18-8-5-7-16(13-18)22-25-19-9-2-3-10-20(19)26-22/h1-11,13,17H,12,14H2,(H,24,27)(H,25,26)
InChIKeyMMRGRHSYABSVDU-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.42
Rot. Bonds3

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

N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 134040998) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID134040998
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1COc2ccccc2C1
InChIInChI=1S/C23H19N3O2/c27-23(17-12-15-6-1-4-11-21(15)28-14-17)24-18-8-5-7-16(13-18)22-25-19-9-2-3-10-20(19)26-22/h1-11,13,17H,12,14H2,(H,24,27)(H,25,26)
InChIKeyMMRGRHSYABSVDU-UHFFFAOYSA-N
XLogP4.42
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119832390
N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648344
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26689467
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 1278030
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
ethyl 3-(3,4-dihydro-2H-chromene-3-carbonylamino)benzoate
CID 134041128
(3S)-N-(3-pyridazin-3-yloxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 124607438
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 39952263
N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119441088
N-[3-(1,3-dithian-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041326

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 134040998) is N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1COc2ccccc2C1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is MMRGRHSYABSVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-23(17-12-15-6-1-4-11-21(15)28-14-17)24-18-8-5-7-16(13-18)22-25-19-9-2-3-10-20(19)26-22/h1-11,13,17H,12,14H2,(H,24,27)(H,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 134040998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).