2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide

C19H21N5O — CID 131921782

IUPAC2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide
SMILESCCc1nc2cc(NC(=O)c3cnc(C4CC4)nc3)ccc2n1CC
InChIInChI=1S/C19H21N5O/c1-3-17-23-15-9-14(7-8-16(15)24(17)4-2)22-19(25)13-10-20-18(21-11-13)12-5-6-12/h7-12H,3-6H2,1-2H3,(H,22,25)
InChIKeyUCHHLNYNCFXOEZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.54
Rot. Bonds5

About 2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide

2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide (PubChem CID 131921782) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide
PubChem CID131921782
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide
SMILESCCc1nc2cc(NC(=O)c3cnc(C4CC4)nc3)ccc2n1CC
InChIInChI=1S/C19H21N5O/c1-3-17-23-15-9-14(7-8-16(15)24(17)4-2)22-19(25)13-10-20-18(21-11-13)12-5-6-12/h7-12H,3-6H2,1-2H3,(H,22,25)
InChIKeyUCHHLNYNCFXOEZ-UHFFFAOYSA-N
XLogP3.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide
CID 131947501
2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide
CID 167977178
N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide
CID 131891899
3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236159
4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236238
methyl 1,2-diethylbenzimidazole-5-carboxylate
CID 167201887
1-(1,2-diethylbenzimidazol-5-yl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea
CID 118782849
N-(1,2-diethylbenzimidazol-5-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
CID 46971884
N-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethylbenzimidazol-5-yl]-4-fluorobenzamide
CID 42536661
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide
CID 17235994
N-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 131901626

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide (CID 131921782) is 2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide is CCc1nc2cc(NC(=O)c3cnc(C4CC4)nc3)ccc2n1CC.
What is the InChIKey of 2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide?
The InChIKey is UCHHLNYNCFXOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-3-17-23-15-9-14(7-8-16(15)24(17)4-2)22-19(25)13-10-20-18(21-11-13)12-5-6-12/h7-12H,3-6H2,1-2H3,(H,22,25).
What are the key properties of 2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide?
2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1,2-diethylbenzimidazol-5-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 131921782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).