N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propanamide

C16H19N5O2 — CID 131949793

IUPACN-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propanamide
SMILESCc1cc2[nH]c(=O)[nH]c2c(NC(=O)CCc2ccnn2C)c1C
InChIInChI=1S/C16H19N5O2/c1-9-8-12-15(20-16(23)18-12)14(10(9)2)19-13(22)5-4-11-6-7-17-21(11)3/h6-8H,4-5H2,1-3H3,(H,19,22)(H2,18,20,23)
InChIKeyXVZCXRSCWXVQFI-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.78
Rot. Bonds4

About N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propanamide

N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 131949793) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID131949793
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propanamide
SMILESCc1cc2[nH]c(=O)[nH]c2c(NC(=O)CCc2ccnn2C)c1C
InChIInChI=1S/C16H19N5O2/c1-9-8-12-15(20-16(23)18-12)14(10(9)2)19-13(22)5-4-11-6-7-17-21(11)3/h6-8H,4-5H2,1-3H3,(H,19,22)(H2,18,20,23)
InChIKeyXVZCXRSCWXVQFI-UHFFFAOYSA-N
XLogP1.78
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpyrazol-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 131890072
2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid
CID 120537812
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 136665222
N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 166304475
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 77090072
3-(2-methylpyrazol-3-yl)-N-[1-(6-methyl-2-pyridinyl)ethyl]propanamide
CID 122568703
N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 74247536
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid
CID 120517076
N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 131941993
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide
CID 131924029
4-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenoxy]butanoic acid
CID 120530793
11-(2-methylpyrazol-3-yl)undecanoic acid
CID 10778184

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propanamide (CID 131949793) is N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propanamide is Cc1cc2[nH]c(=O)[nH]c2c(NC(=O)CCc2ccnn2C)c1C.
What is the InChIKey of N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is XVZCXRSCWXVQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-9-8-12-15(20-16(23)18-12)14(10(9)2)19-13(22)5-4-11-6-7-17-21(11)3/h6-8H,4-5H2,1-3H3,(H,19,22)(H2,18,20,23).
What are the key properties of N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propanamide?
N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 313.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 131949793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).