3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one

C20H23N5O2 — CID 166244271

IUPAC3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
SMILESCn1cc(C2CCN(C(=O)c3ccc4[nH]c(=O)n(C5CC5)c4c3)CC2)cn1
InChIInChI=1S/C20H23N5O2/c1-23-12-15(11-21-23)13-6-8-24(9-7-13)19(26)14-2-5-17-18(10-14)25(16-3-4-16)20(27)22-17/h2,5,10-13,16H,3-4,6-9H2,1H3,(H,22,27)
InChIKeyNFVYOKXRWCWDKF-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.42
Rot. Bonds3

About 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one

3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one (PubChem CID 166244271) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
PubChem CID166244271
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
SMILESCn1cc(C2CCN(C(=O)c3ccc4[nH]c(=O)n(C5CC5)c4c3)CC2)cn1
InChIInChI=1S/C20H23N5O2/c1-23-12-15(11-21-23)13-6-8-24(9-7-13)19(26)14-2-5-17-18(10-14)25(16-3-4-16)20(27)22-17/h2,5,10-13,16H,3-4,6-9H2,1H3,(H,22,27)
InChIKeyNFVYOKXRWCWDKF-UHFFFAOYSA-N
XLogP2.42
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one (CID 166244271) is 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one is Cn1cc(C2CCN(C(=O)c3ccc4[nH]c(=O)n(C5CC5)c4c3)CC2)cn1.
What is the InChIKey of 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one?
The InChIKey is NFVYOKXRWCWDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-23-12-15(11-21-23)13-6-8-24(9-7-13)19(26)14-2-5-17-18(10-14)25(16-3-4-16)20(27)22-17/h2,5,10-13,16H,3-4,6-9H2,1H3,(H,22,27).
What are the key properties of 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one?
3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one has a molecular weight of 365.44 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 166244271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).