1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide

C20H24N4O2 — CID 174335696

IUPAC1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCC(C)N(C)c1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cc1
InChIInChI=1S/C20H24N4O2/c1-13(2)23(3)16-8-5-14(6-9-16)12-21-19(25)15-7-10-18-17(11-15)22-20(26)24(18)4/h5-11,13H,12H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyVHMGUGDXBCDHIL-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.64
Rot. Bonds5

About 1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 174335696) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID174335696
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCC(C)N(C)c1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cc1
InChIInChI=1S/C20H24N4O2/c1-13(2)23(3)16-8-5-14(6-9-16)12-21-19(25)15-7-10-18-17(11-15)22-20(26)24(18)4/h5-11,13H,12H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyVHMGUGDXBCDHIL-UHFFFAOYSA-N
XLogP2.64
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 170765084
N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27888371
N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 174274835
N-[2-hydroxy-1-[6-[methyl(propan-2-yl)amino]-3-pyridinyl]ethyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 170765149
N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 171652065
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 37216605
6-(2-bromoacetyl)-3-methyl-1H-benzimidazol-2-one
CID 139311717
ethyl N-[(1-methyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]carbamate
CID 86844759
N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 111122028
1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 174335230
1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide
CID 6625310
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766483

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 174335696) is 1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide is CC(C)N(C)c1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cc1.
What is the InChIKey of 1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is VHMGUGDXBCDHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13(2)23(3)16-8-5-14(6-9-16)12-21-19(25)15-7-10-18-17(11-15)22-20(26)24(18)4/h5-11,13H,12H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of 1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 174335696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).