(1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate

C21H21N5O2 — CID 89469636

IUPAC(1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate
SMILESCc1ccc(-c2cc(NC(=O)OCc3ccc4c(c3)ncn4C)n[nH]2)c(C)c1
InChIInChI=1S/C21H21N5O2/c1-13-4-6-16(14(2)8-13)17-10-20(25-24-17)23-21(27)28-11-15-5-7-19-18(9-15)22-12-26(19)3/h4-10,12H,11H2,1-3H3,(H2,23,24,25,27)
InChIKeyREKJAELGMRSVQE-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.33
Rot. Bonds4

About (1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate

(1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate (PubChem CID 89469636) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate
PubChem CID89469636
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name(1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate
SMILESCc1ccc(-c2cc(NC(=O)OCc3ccc4c(c3)ncn4C)n[nH]2)c(C)c1
InChIInChI=1S/C21H21N5O2/c1-13-4-6-16(14(2)8-13)17-10-20(25-24-17)23-21(27)28-11-15-5-7-19-18(9-15)22-12-26(19)3/h4-10,12H,11H2,1-3H3,(H2,23,24,25,27)
InChIKeyREKJAELGMRSVQE-UHFFFAOYSA-N
XLogP4.33
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate?
The IUPAC name of (1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate (CID 89469636) is (1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate.
What is the SMILES notation for (1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate?
The canonical SMILES for (1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate is Cc1ccc(-c2cc(NC(=O)OCc3ccc4c(c3)ncn4C)n[nH]2)c(C)c1.
What is the InChIKey of (1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate?
The InChIKey is REKJAELGMRSVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-4-6-16(14(2)8-13)17-10-20(25-24-17)23-21(27)28-11-15-5-7-19-18(9-15)22-12-26(19)3/h4-10,12H,11H2,1-3H3,(H2,23,24,25,27).
What are the key properties of (1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate?
(1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate has a molecular weight of 375.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate is sourced from PubChem (CID 89469636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).