[3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea

C23H27N5O2 — CID 99808037

IUPAC[3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea
SMILESCC(C)n1c([C@@H]2CCCN(C(=O)c3cccc(NC(N)=O)c3)C2)nc2ccccc21
InChIInChI=1S/C23H27N5O2/c1-15(2)28-20-11-4-3-10-19(20)26-21(28)17-8-6-12-27(14-17)22(29)16-7-5-9-18(13-16)25-23(24)30/h3-5,7,9-11,13,15,17H,6,8,12,14H2,1-2H3,(H3,24,25,30)/t17-/m1/s1
InChIKeyRJRNPISORYZQIG-QGZVFWFLSA-N
MW405.50 g/mol
LogP4.13
Rot. Bonds4

About [3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea

[3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea (PubChem CID 99808037) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is [3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name[3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea
PubChem CID99808037
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name[3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea
SMILESCC(C)n1c([C@@H]2CCCN(C(=O)c3cccc(NC(N)=O)c3)C2)nc2ccccc21
InChIInChI=1S/C23H27N5O2/c1-15(2)28-20-11-4-3-10-19(20)26-21(28)17-8-6-12-27(14-17)22(29)16-7-5-9-18(13-16)25-23(24)30/h3-5,7,9-11,13,15,17H,6,8,12,14H2,1-2H3,(H3,24,25,30)/t17-/m1/s1
InChIKeyRJRNPISORYZQIG-QGZVFWFLSA-N
XLogP4.13
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea with MolForge

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Related Compounds

[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 146361758
(2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 119887256
[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea
CID 9223949
N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 95321353
2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 120704503
cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 102559687
2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119887263
(2R)-2-methylsulfanyl-1-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 95348209
[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
CID 47184335
[(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 119887232
1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide
CID 119128282
[(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 120636549

Frequently Asked Questions

What is the IUPAC name of [3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea?
The IUPAC name of [3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea (CID 99808037) is [3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea.
What is the SMILES notation for [3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea?
The canonical SMILES for [3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea is CC(C)n1c([C@@H]2CCCN(C(=O)c3cccc(NC(N)=O)c3)C2)nc2ccccc21.
What is the InChIKey of [3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea?
The InChIKey is RJRNPISORYZQIG-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15(2)28-20-11-4-3-10-19(20)26-21(28)17-8-6-12-27(14-17)22(29)16-7-5-9-18(13-16)25-23(24)30/h3-5,7,9-11,13,15,17H,6,8,12,14H2,1-2H3,(H3,24,25,30)/t17-/m1/s1.
What are the key properties of [3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea?
[3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea has a molecular weight of 405.50 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 99808037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).