methyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate

C16H21N3O3 — CID 154770873

IUPACmethyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate
SMILESCOCCC1(CNc2nc3ccc(C(=O)OC)cc3[nH]2)CC1
InChIInChI=1S/C16H21N3O3/c1-21-8-7-16(5-6-16)10-17-15-18-12-4-3-11(14(20)22-2)9-13(12)19-15/h3-4,9H,5-8,10H2,1-2H3,(H2,17,18,19)
InChIKeyWJTKRYCKVSSNKA-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.58
Rot. Bonds7

About methyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate

methyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate (PubChem CID 154770873) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate
PubChem CID154770873
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Namemethyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate
SMILESCOCCC1(CNc2nc3ccc(C(=O)OC)cc3[nH]2)CC1
InChIInChI=1S/C16H21N3O3/c1-21-8-7-16(5-6-16)10-17-15-18-12-4-3-11(14(20)22-2)9-13(12)19-15/h3-4,9H,5-8,10H2,1-2H3,(H2,17,18,19)
InChIKeyWJTKRYCKVSSNKA-UHFFFAOYSA-N
XLogP2.58
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine
CID 133410943
methyl 2-[3-[(3,5-dichlorobenzoyl)amino]propylamino]-3H-benzimidazole-5-carboxylate
CID 122179076
methyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate
CID 169214807
ethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate
CID 82564622
2-[(2-methoxy-2-oxoethyl)amino]-3H-benzimidazole-5-carboxylic acid
CID 54123271
methyl 2-benzyl-3H-benzimidazole-5-carboxylate
CID 4915686
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656
ethyl 2-(thiophen-2-ylmethylamino)-3H-benzimidazole-5-carboxylate
CID 82564599
methyl 2-(4-propoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902829
6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103794664
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate (CID 154770873) is methyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate is COCCC1(CNc2nc3ccc(C(=O)OC)cc3[nH]2)CC1.
What is the InChIKey of methyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate?
The InChIKey is WJTKRYCKVSSNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-21-8-7-16(5-6-16)10-17-15-18-12-4-3-11(14(20)22-2)9-13(12)19-15/h3-4,9H,5-8,10H2,1-2H3,(H2,17,18,19).
What are the key properties of methyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate?
methyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 154770873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).