N-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

C21H21N5O — CID 131889815

IUPACN-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCc3ccc4nc[nH]c4c3)cc2)n1
InChIInChI=1S/C21H21N5O/c1-14-9-15(2)26(25-14)12-16-3-6-18(7-4-16)21(27)22-11-17-5-8-19-20(10-17)24-13-23-19/h3-10,13H,11-12H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyKJSJIBOHTPMWNO-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.35
Rot. Bonds5

About N-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

N-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (PubChem CID 131889815) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
PubChem CID131889815
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCc3ccc4nc[nH]c4c3)cc2)n1
InChIInChI=1S/C21H21N5O/c1-14-9-15(2)26(25-14)12-16-3-6-18(7-4-16)21(27)22-11-17-5-8-19-20(10-17)24-13-23-19/h3-10,13H,11-12H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyKJSJIBOHTPMWNO-UHFFFAOYSA-N
XLogP3.35
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
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CID 48994302
N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
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N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide
CID 110794693
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CID 2548252
N-[(4-ethylsulfanylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110794525
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19296883
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
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N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (CID 131889815) is N-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc4nc[nH]c4c3)cc2)n1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The InChIKey is KJSJIBOHTPMWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-9-15(2)26(25-14)12-16-3-6-18(7-4-16)21(27)22-11-17-5-8-19-20(10-17)24-13-23-19/h3-10,13H,11-12H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
N-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 131889815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).