N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide

About N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide (PubChem CID 146507867) has the molecular formula C22H20ClF2N5O4 and a molecular weight of 491.88 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name	N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide
PubChem CID	146507867
Molecular Formula	C22H20ClF2N5O4
Molecular Weight	491.88 g/mol
Exact Mass	491.12
IUPAC Name	N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide
SMILES	COc1nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c2n1[C@H](C)CO
InChI	InChI=1S/C22H20ClF2N5O4/c1-12(11-31)30-19-16(17-7-8-26-29-17)9-13(10-18(19)28-21(30)33-2)20(32)27-14-3-5-15(6-4-14)34-22(23,24)25/h3-10,12,31H,11H2,1-2H3,(H,26,29)(H,27,32)/t12-/m1/s1
InChIKey	IUTWRYMBWXMOTM-GFCCVEGCSA-N
XLogP	4.41
TPSA	114.29 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.88
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide?

The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide (CID 146507867) is N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide.

What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide?

The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide is COc1nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c2n1[C@H](C)CO.

What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide?

The InChIKey is IUTWRYMBWXMOTM-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H20ClF2N5O4/c1-12(11-31)30-19-16(17-7-8-26-29-17)9-13(10-18(19)28-21(30)33-2)20(32)27-14-3-5-15(6-4-14)34-22(23,24)25/h3-10,12,31H,11H2,1-2H3,(H,26,29)(H,27,32)/t12-/m1/s1.

What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide?

N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide has a molecular weight of 491.88 g/mol, XLogP of 4.41, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 146507867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).