methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate

C13H14N2O3 — CID 112617626

IUPACmethyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate
SMILESCOC(=O)c1nc2cc(OC)ccc2n1C1CC1
InChIInChI=1S/C13H14N2O3/c1-17-9-5-6-11-10(7-9)14-12(13(16)18-2)15(11)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyDUBVUQIDSBYQST-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.17
Rot. Bonds3

About methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate

methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate (PubChem CID 112617626) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate
PubChem CID112617626
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate
SMILESCOC(=O)c1nc2cc(OC)ccc2n1C1CC1
InChIInChI=1S/C13H14N2O3/c1-17-9-5-6-11-10(7-9)14-12(13(16)18-2)15(11)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyDUBVUQIDSBYQST-UHFFFAOYSA-N
XLogP2.17
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-1-cyclobutyl-5-methoxybenzimidazole
CID 84812045
cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine
CID 106322605
methyl 2-(6-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-cyclopropylbenzimidazole-5-carboxylate
CID 164554131
N-cyclohexyl-8-methoxy-1,1-dimethyl-3-oxo-2,4-dihydropyrazino[1,2-a]benzimidazole-4-carboxamide
CID 135022954
1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82247794
1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone
CID 83858201
(2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone
CID 70515128
1-[4-[[(4S)-8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methylamino]piperidin-1-yl]ethanone
CID 75411085
2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxylic acid
CID 172901532
3-oxobutan-2-yl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
CID 18281159
1-cyclopropyl-2-methylbenzimidazole-5-carboxamide
CID 82492875
2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid
CID 82334255

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate?
The IUPAC name of methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate (CID 112617626) is methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate.
What is the SMILES notation for methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate?
The canonical SMILES for methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate is COC(=O)c1nc2cc(OC)ccc2n1C1CC1.
What is the InChIKey of methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate?
The InChIKey is DUBVUQIDSBYQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-9-5-6-11-10(7-9)14-12(13(16)18-2)15(11)8-3-4-8/h5-8H,3-4H2,1-2H3.
What are the key properties of methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate?
methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate is sourced from PubChem (CID 112617626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).