N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide

C16H19N5O — CID 77084306

IUPACN-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide
SMILESCc1nn(CCNC(=O)c2nc3ccccc3[nH]2)c(C)c1C
InChIInChI=1S/C16H19N5O/c1-10-11(2)20-21(12(10)3)9-8-17-16(22)15-18-13-6-4-5-7-14(13)19-15/h4-7H,8-9H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyPNUQPSITCUUECJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.11
Rot. Bonds4

About N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide

N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide (PubChem CID 77084306) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide
PubChem CID77084306
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide
SMILESCc1nn(CCNC(=O)c2nc3ccccc3[nH]2)c(C)c1C
InChIInChI=1S/C16H19N5O/c1-10-11(2)20-21(12(10)3)9-8-17-16(22)15-18-13-6-4-5-7-14(13)19-15/h4-7H,8-9H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyPNUQPSITCUUECJ-UHFFFAOYSA-N
XLogP2.11
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716746
2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716759
N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
CID 584328
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
1-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 129066945
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 110716769
2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716730
N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide
CID 56711500
3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716798
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide
CID 110716795

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide (CID 77084306) is N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide is Cc1nn(CCNC(=O)c2nc3ccccc3[nH]2)c(C)c1C.
What is the InChIKey of N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is PNUQPSITCUUECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10-11(2)20-21(12(10)3)9-8-17-16(22)15-18-13-6-4-5-7-14(13)19-15/h4-7H,8-9H2,1-3H3,(H,17,22)(H,18,19).
What are the key properties of N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide?
N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 77084306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).