methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate

C18H21N5O3 — CID 71279102

IUPACmethyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(C)c1C(=O)NCCc1nc2ccccc2n1C
InChIInChI=1S/C18H21N5O3/c1-11-20-15(18(25)26-4)16(22(11)2)17(24)19-10-9-14-21-12-7-5-6-8-13(12)23(14)3/h5-8H,9-10H2,1-4H3,(H,19,24)
InChIKeyBYSMMFAMRPMCBR-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.37
Rot. Bonds5

About methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate

methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate (PubChem CID 71279102) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate
PubChem CID71279102
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Namemethyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(C)c1C(=O)NCCc1nc2ccccc2n1C
InChIInChI=1S/C18H21N5O3/c1-11-20-15(18(25)26-4)16(22(11)2)17(24)19-10-9-14-21-12-7-5-6-8-13(12)23(14)3/h5-8H,9-10H2,1-4H3,(H,19,24)
InChIKeyBYSMMFAMRPMCBR-UHFFFAOYSA-N
XLogP1.37
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 56790573
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
N-[2-(1-methylbenzimidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 53193500
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
CID 71827682
methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate
CID 134050321
2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
2-(ethylamino)-4-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 71852564
5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 46971081
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide
CID 110711950
2-(4-chlorophenoxy)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 16978760

Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate?
The IUPAC name of methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate (CID 71279102) is methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate is COC(=O)c1nc(C)n(C)c1C(=O)NCCc1nc2ccccc2n1C.
What is the InChIKey of methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate?
The InChIKey is BYSMMFAMRPMCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-11-20-15(18(25)26-4)16(22(11)2)17(24)19-10-9-14-21-12-7-5-6-8-13(12)23(14)3/h5-8H,9-10H2,1-4H3,(H,19,24).
What are the key properties of methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate?
methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate has a molecular weight of 355.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate is sourced from PubChem (CID 71279102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).