5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide

C22H19ClN6O — CID 167806826

IUPAC5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCc1ccccn1)c1nc(C2CC2)ncc1Cl
InChIInChI=1S/C22H19ClN6O/c23-16-13-25-20(14-8-9-14)27-19(16)21(30)28-22-26-17-6-1-2-7-18(17)29(22)12-10-15-5-3-4-11-24-15/h1-7,11,13-14H,8-10,12H2,(H,26,28,30)
InChIKeyBBEAKNTVWSCJAD-UHFFFAOYSA-N
MW418.89 g/mol
LogP4.25
Rot. Bonds6

About 5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide

5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide (PubChem CID 167806826) has the molecular formula C22H19ClN6O and a molecular weight of 418.89 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide
PubChem CID167806826
Molecular FormulaC22H19ClN6O
Molecular Weight418.89 g/mol
Exact Mass418.13
IUPAC Name5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCc1ccccn1)c1nc(C2CC2)ncc1Cl
InChIInChI=1S/C22H19ClN6O/c23-16-13-25-20(14-8-9-14)27-19(16)21(30)28-22-26-17-6-1-2-7-18(17)29(22)12-10-15-5-3-4-11-24-15/h1-7,11,13-14H,8-10,12H2,(H,26,28,30)
InChIKeyBBEAKNTVWSCJAD-UHFFFAOYSA-N
XLogP4.25
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-2-carboxamide
CID 167971405
3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide
CID 167796521
N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 167991259
1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide
CID 167815697
3,4-dibromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 167838423
4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167795718
6-(1,1-difluoroethyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167807665
5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167821747
5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide
CID 167979091
4-(2,2-difluoroethoxy)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167956341
2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide
CID 167780142
2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 167793542

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide (CID 167806826) is 5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide is O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1nc(C2CC2)ncc1Cl.
What is the InChIKey of 5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide?
The InChIKey is BBEAKNTVWSCJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O/c23-16-13-25-20(14-8-9-14)27-19(16)21(30)28-22-26-17-6-1-2-7-18(17)29(22)12-10-15-5-3-4-11-24-15/h1-7,11,13-14H,8-10,12H2,(H,26,28,30).
What are the key properties of 5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide?
5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide has a molecular weight of 418.89 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 167806826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).