N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide

C19H16N6O2 — CID 131930910

IUPACN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCC(O)c1nc2ccc(NC(=O)c3cnc(-c4cccnc4)nc3)cc2[nH]1
InChIInChI=1S/C19H16N6O2/c1-11(26)17-24-15-5-4-14(7-16(15)25-17)23-19(27)13-9-21-18(22-10-13)12-3-2-6-20-8-12/h2-11,26H,1H3,(H,23,27)(H,24,25)
InChIKeyNRTHXYBQYIUCGX-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.72
Rot. Bonds4

About N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide

N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 131930910) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID131930910
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC NameN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCC(O)c1nc2ccc(NC(=O)c3cnc(-c4cccnc4)nc3)cc2[nH]1
InChIInChI=1S/C19H16N6O2/c1-11(26)17-24-15-5-4-14(7-16(15)25-17)23-19(27)13-9-21-18(22-10-13)12-3-2-6-20-8-12/h2-11,26H,1H3,(H,23,27)(H,24,25)
InChIKeyNRTHXYBQYIUCGX-UHFFFAOYSA-N
XLogP2.72
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid
CID 16665944
3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide
CID 131952585
methyl 4-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)carbamoyl]benzoate
CID 3153966
N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide
CID 110793209
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131943885
2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 168520800
N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765672
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide
CID 131908353
[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea
CID 169356684
N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765669
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 131925459
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 131930910) is N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide is CC(O)c1nc2ccc(NC(=O)c3cnc(-c4cccnc4)nc3)cc2[nH]1.
What is the InChIKey of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is NRTHXYBQYIUCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-11(26)17-24-15-5-4-14(7-16(15)25-17)23-19(27)13-9-21-18(22-10-13)12-3-2-6-20-8-12/h2-11,26H,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 131930910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).