2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid

C14H17N3O2 — CID 82500329

IUPAC2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid
SMILESCc1nc2cc(CNCC(=O)O)ccc2n1C1CC1
InChIInChI=1S/C14H17N3O2/c1-9-16-12-6-10(7-15-8-14(18)19)2-5-13(12)17(9)11-3-4-11/h2,5-6,11,15H,3-4,7-8H2,1H3,(H,18,19)
InChIKeyBAJVTFDSMQFZKM-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.85
Rot. Bonds5

About 2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid

2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid (PubChem CID 82500329) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid
PubChem CID82500329
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid
SMILESCc1nc2cc(CNCC(=O)O)ccc2n1C1CC1
InChIInChI=1S/C14H17N3O2/c1-9-16-12-6-10(7-15-8-14(18)19)2-5-13(12)17(9)11-3-4-11/h2,5-6,11,15H,3-4,7-8H2,1H3,(H,18,19)
InChIKeyBAJVTFDSMQFZKM-UHFFFAOYSA-N
XLogP1.85
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide
CID 96679538
3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid
CID 82500033
2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile
CID 82492655
1-cyclopropyl-2-methylbenzimidazole-5-carboxamide
CID 82492875
2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 43322927
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one
CID 96677057
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid
CID 60784983
3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole
CID 166374041
2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-2-methylpropan-1-ol
CID 117362935
2-methyl-1-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549180
1-cyclopropyl-5-ethynyl-2-methylbenzimidazole
CID 162380804
1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
CID 28693642

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid?
The IUPAC name of 2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid (CID 82500329) is 2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid is Cc1nc2cc(CNCC(=O)O)ccc2n1C1CC1.
What is the InChIKey of 2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid?
The InChIKey is BAJVTFDSMQFZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-16-12-6-10(7-15-8-14(18)19)2-5-13(12)17(9)11-3-4-11/h2,5-6,11,15H,3-4,7-8H2,1H3,(H,18,19).
What are the key properties of 2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid?
2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid has a molecular weight of 259.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid is sourced from PubChem (CID 82500329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).