ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate

C14H18N2O2 — CID 18681035

IUPACethyl 3-methyl-2-propylbenzimidazole-5-carboxylate
SMILESCCCc1nc2ccc(C(=O)OCC)cc2n1C
InChIInChI=1S/C14H18N2O2/c1-4-6-13-15-11-8-7-10(14(17)18-5-2)9-12(11)16(13)3/h7-9H,4-6H2,1-3H3
InChIKeyMJGAQDJQZIEZAE-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.70
Rot. Bonds4

About ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate

ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate (PubChem CID 18681035) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-2-propylbenzimidazole-5-carboxylate
PubChem CID18681035
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nameethyl 3-methyl-2-propylbenzimidazole-5-carboxylate
SMILESCCCc1nc2ccc(C(=O)OCC)cc2n1C
InChIInChI=1S/C14H18N2O2/c1-4-6-13-15-11-8-7-10(14(17)18-5-2)9-12(11)16(13)3/h7-9H,4-6H2,1-3H3
InChIKeyMJGAQDJQZIEZAE-UHFFFAOYSA-N
XLogP2.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(dipropylamino)butyl]-3-methylbenzimidazole-5-carboxylate
CID 67103508
ethyl 3-ethyl-2-methylbenzimidazole-5-carboxylate
CID 5297383
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
ethyl 1-methyl-2-oxoquinoline-7-carboxylate
CID 121231685
ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-methylbenzimidazole-5-carboxylate
CID 86656917
ethyl 3-benzyl-2-methylbenzimidazole-5-carboxylate
CID 18681119
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
ethyl 2-ethylquinoline-6-carboxylate
CID 142697026
ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate
CID 135479169
1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one
CID 83857936
ethyl 3-[(2,6-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18681136
diethyl benzene-1,3-dicarboxylate
CID 12491

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate?
The IUPAC name of ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate (CID 18681035) is ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate?
The canonical SMILES for ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate is CCCc1nc2ccc(C(=O)OCC)cc2n1C.
What is the InChIKey of ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate?
The InChIKey is MJGAQDJQZIEZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-6-13-15-11-8-7-10(14(17)18-5-2)9-12(11)16(13)3/h7-9H,4-6H2,1-3H3.
What are the key properties of ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate?
ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate is sourced from PubChem (CID 18681035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).