1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide

C29H28N6O2 — CID 169300411

IUPAC1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide
SMILESCCn1nc(C(=O)NCc2ccc(-n3cnc4cc(C(=O)NC)ccc43)cc2)cc1Cc1ccccc1
InChIInChI=1S/C29H28N6O2/c1-3-35-24(15-20-7-5-4-6-8-20)17-26(33-35)29(37)31-18-21-9-12-23(13-10-21)34-19-32-25-16-22(28(36)30-2)11-14-27(25)34/h4-14,16-17,19H,3,15,18H2,1-2H3,(H,30,36)(H,31,37)
InChIKeyBXDGVYKMCZJWOV-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.12
Rot. Bonds8

About 1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide

1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide (PubChem CID 169300411) has the molecular formula C29H28N6O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide
PubChem CID169300411
Molecular FormulaC29H28N6O2
Molecular Weight492.58 g/mol
Exact Mass492.23
IUPAC Name1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide
SMILESCCn1nc(C(=O)NCc2ccc(-n3cnc4cc(C(=O)NC)ccc43)cc2)cc1Cc1ccccc1
InChIInChI=1S/C29H28N6O2/c1-3-35-24(15-20-7-5-4-6-8-20)17-26(33-35)29(37)31-18-21-9-12-23(13-10-21)34-19-32-25-16-22(28(36)30-2)11-14-27(25)34/h4-14,16-17,19H,3,15,18H2,1-2H3,(H,30,36)(H,31,37)
InChIKeyBXDGVYKMCZJWOV-UHFFFAOYSA-N
XLogP4.12
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11751247
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009
1-[4-[3-(4-methoxyphenoxy)propoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 67012284
5-benzyl-N-[[4-[5-(methylcarbamoyl)indol-1-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide
CID 169300442
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide
CID 4546936
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
1-[3-(3-phenylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11259761
N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
CID 5235716
N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
CID 67011817
ethyl 1-phenylbenzimidazole-5-carboxylate
CID 175878732
3-[4-[[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]methyl]phenyl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide
CID 170040091

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide?
The IUPAC name of 1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide (CID 169300411) is 1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide is CCn1nc(C(=O)NCc2ccc(-n3cnc4cc(C(=O)NC)ccc43)cc2)cc1Cc1ccccc1.
What is the InChIKey of 1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide?
The InChIKey is BXDGVYKMCZJWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2/c1-3-35-24(15-20-7-5-4-6-8-20)17-26(33-35)29(37)31-18-21-9-12-23(13-10-21)34-19-32-25-16-22(28(36)30-2)11-14-27(25)34/h4-14,16-17,19H,3,15,18H2,1-2H3,(H,30,36)(H,31,37).
What are the key properties of 1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide?
1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 169300411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).