4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid

C19H20N4O2 — CID 151956414

IUPAC4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2nc3ccccc3n2-c2ccccc2)CC1
InChIInChI=1S/C19H20N4O2/c24-19(25)22-12-10-14(11-13-22)20-18-21-16-8-4-5-9-17(16)23(18)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,20,21)(H,24,25)
InChIKeyTXSQRHRFSMYOPZ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.58
Rot. Bonds3

About 4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid

4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid (PubChem CID 151956414) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid
PubChem CID151956414
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2nc3ccccc3n2-c2ccccc2)CC1
InChIInChI=1S/C19H20N4O2/c24-19(25)22-12-10-14(11-13-22)20-18-21-16-8-4-5-9-17(16)23(18)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,20,21)(H,24,25)
InChIKeyTXSQRHRFSMYOPZ-UHFFFAOYSA-N
XLogP3.58
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-phenylbenzimidazol-2-amine
CID 53254471
2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride
CID 119732173
3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119732171
4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid
CID 91438480
4-(2-hydroxyanilino)piperidine-1-carboxylic acid
CID 22293852
2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid
CID 43831374
3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one
CID 12891760
4-(4-hydroxyanilino)piperidine-1-carboxylic acid
CID 118918090
(2R)-N-(1-phenylbenzimidazol-2-yl)-1,4-dioxane-2-carboxamide
CID 94103538
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
but-2-enedioic acid;2-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methoxy]ethanol
CID 159801214
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one;hydrochloride
CID 119538394

Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid (CID 151956414) is 4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid is O=C(O)N1CCC(Nc2nc3ccccc3n2-c2ccccc2)CC1.
What is the InChIKey of 4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid?
The InChIKey is TXSQRHRFSMYOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(25)22-12-10-14(11-13-22)20-18-21-16-8-4-5-9-17(16)23(18)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,20,21)(H,24,25).
What are the key properties of 4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid?
4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 151956414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).