1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide

C20H29N5O3 — CID 53104341

IUPAC1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)nc(CN(C)C(=O)NCC1CCCO1)n2C
InChIInChI=1S/C20H29N5O3/c1-13(2)22-19(26)14-7-8-17-16(10-14)23-18(25(17)4)12-24(3)20(27)21-11-15-6-5-9-28-15/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3,(H,21,27)(H,22,26)
InChIKeyORYSRLBPMBHDIY-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.03
Rot. Bonds6

About 1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide

1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide (PubChem CID 53104341) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide
PubChem CID53104341
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)nc(CN(C)C(=O)NCC1CCCO1)n2C
InChIInChI=1S/C20H29N5O3/c1-13(2)22-19(26)14-7-8-17-16(10-14)23-18(25(17)4)12-24(3)20(27)21-11-15-6-5-9-28-15/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3,(H,21,27)(H,22,26)
InChIKeyORYSRLBPMBHDIY-UHFFFAOYSA-N
XLogP2.03
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]propanoate
CID 53104350
2-[[(2-bromophenyl)carbamoyl-methylamino]methyl]-1-methyl-N-propan-2-ylbenzimidazole-5-carboxamide
CID 53104311
2-[[(2,4-difluorophenyl)carbamoyl-methylamino]methyl]-1-methyl-N-propan-2-ylbenzimidazole-5-carboxamide
CID 53104337
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 167983187
1-methyl-3-(3-methylbutyl)-1-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]urea
CID 53104167
2-[[(4-ethoxyphenyl)sulfonyl-methylamino]methyl]-1-methyl-N-propan-2-ylbenzimidazole-5-carboxamide
CID 50823912
2-[[3-chloropropylcarbamoyl(methyl)amino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 86810332
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111139817
1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126428709
1-[(5-bromothiophen-3-yl)methyl]-1-methyl-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94198642
4-methyl-2-[[2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carbonyl]amino]hexanoic acid
CID 90083790

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide (CID 53104341) is 1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide is CC(C)NC(=O)c1ccc2c(c1)nc(CN(C)C(=O)NCC1CCCO1)n2C.
What is the InChIKey of 1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide?
The InChIKey is ORYSRLBPMBHDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-13(2)22-19(26)14-7-8-17-16(10-14)23-18(25(17)4)12-24(3)20(27)21-11-15-6-5-9-28-15/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3,(H,21,27)(H,22,26).
What are the key properties of 1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide?
1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 53104341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).