N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-6-carboxamide

C20H17N5O2 — CID 155161478

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESO=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C20H17N5O2/c26-20(13-7-8-17-12(10-13)4-3-9-27-17)23-18-11-16(24-25-18)19-21-14-5-1-2-6-15(14)22-19/h1-2,5-8,10-11H,3-4,9H2,(H,21,22)(H2,23,24,25,26)
InChIKeyLHZCOXFAPPWDIJ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.53
Rot. Bonds3

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-6-carboxamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 155161478) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID155161478
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESO=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C20H17N5O2/c26-20(13-7-8-17-12(10-13)4-3-9-27-17)23-18-11-16(24-25-18)19-21-14-5-1-2-6-15(14)22-19/h1-2,5-8,10-11H,3-4,9H2,(H,21,22)(H2,23,24,25,26)
InChIKeyLHZCOXFAPPWDIJ-UHFFFAOYSA-N
XLogP3.53
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-6-carboxamide (CID 155161478) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-6-carboxamide is O=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is LHZCOXFAPPWDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-20(13-7-8-17-12(10-13)4-3-9-27-17)23-18-11-16(24-25-18)19-21-14-5-1-2-6-15(14)22-19/h1-2,5-8,10-11H,3-4,9H2,(H,21,22)(H2,23,24,25,26).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 155161478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).