(2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide

C22H29N5O — CID 51495887

IUPAC(2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide
SMILESCC[C@H](C(=O)Nc1cc(C)nn1CC1CCCCC1)n1cnc2ccccc21
InChIInChI=1S/C22H29N5O/c1-3-19(26-15-23-18-11-7-8-12-20(18)26)22(28)24-21-13-16(2)25-27(21)14-17-9-5-4-6-10-17/h7-8,11-13,15,17,19H,3-6,9-10,14H2,1-2H3,(H,24,28)/t19-/m1/s1
InChIKeyHRNMHBQKIQTPGR-LJQANCHMSA-N
MW379.51 g/mol
LogP4.71
Rot. Bonds6

About (2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide

(2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide (PubChem CID 51495887) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is (2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide
PubChem CID51495887
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name(2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide
SMILESCC[C@H](C(=O)Nc1cc(C)nn1CC1CCCCC1)n1cnc2ccccc21
InChIInChI=1S/C22H29N5O/c1-3-19(26-15-23-18-11-7-8-12-20(18)26)22(28)24-21-13-16(2)25-27(21)14-17-9-5-4-6-10-17/h7-8,11-13,15,17,19H,3-6,9-10,14H2,1-2H3,(H,24,28)/t19-/m1/s1
InChIKeyHRNMHBQKIQTPGR-LJQANCHMSA-N
XLogP4.71
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide?
The IUPAC name of (2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide (CID 51495887) is (2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide.
What is the SMILES notation for (2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide?
The canonical SMILES for (2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide is CC[C@H](C(=O)Nc1cc(C)nn1CC1CCCCC1)n1cnc2ccccc21.
What is the InChIKey of (2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide?
The InChIKey is HRNMHBQKIQTPGR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29N5O/c1-3-19(26-15-23-18-11-7-8-12-20(18)26)22(28)24-21-13-16(2)25-27(21)14-17-9-5-4-6-10-17/h7-8,11-13,15,17,19H,3-6,9-10,14H2,1-2H3,(H,24,28)/t19-/m1/s1.
What are the key properties of (2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide?
(2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide has a molecular weight of 379.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide is sourced from PubChem (CID 51495887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).