methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate

C14H17N3O3 — CID 60959275

IUPACmethyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H17N3O3/c1-3-6-17(8-13(18)20-2)14(19)10-4-5-11-12(7-10)16-9-15-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,15,16)
InChIKeyLRUPOLUMXCZBLZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.59
Rot. Bonds5

About methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate

methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate (PubChem CID 60959275) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate
PubChem CID60959275
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H17N3O3/c1-3-6-17(8-13(18)20-2)14(19)10-4-5-11-12(7-10)16-9-15-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,15,16)
InChIKeyLRUPOLUMXCZBLZ-UHFFFAOYSA-N
XLogP1.59
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 43397885
ethyl 2-[3H-benzimidazole-5-carbonyl(prop-2-enyl)amino]acetate
CID 115538918
1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone
CID 82052598
methyl 2-[(4-amino-3-methoxybenzoyl)-propylamino]acetate
CID 104782582
methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate
CID 55005855
2-[3H-benzimidazole-5-carbonyl(2-methylpropyl)amino]acetic acid
CID 63072381
N-ethyl-N-prop-2-enyl-3H-benzimidazole-5-carboxamide
CID 78984706
methyl 2-[3H-benzimidazol-5-ylmethyl(methyl)amino]acetate
CID 115232977
N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide
CID 60959614
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide
CID 79679920
2-[3H-benzimidazole-5-carbonyl(tert-butyl)amino]acetic acid
CID 79265620

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate (CID 60959275) is methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate is CCCN(CC(=O)OC)C(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate?
The InChIKey is LRUPOLUMXCZBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-6-17(8-13(18)20-2)14(19)10-4-5-11-12(7-10)16-9-15-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate?
methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate has a molecular weight of 275.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate is sourced from PubChem (CID 60959275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).