(1R)-1-(1H-benzimidazol-2-yl)-N-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-2-methylpropan-1-amine

C22H24ClN5 — CID 97013270

IUPAC(1R)-1-(1H-benzimidazol-2-yl)-N-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)[C@@H](NCc1c(-c2ccccc2)nn(C)c1Cl)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H24ClN5/c1-14(2)19(22-25-17-11-7-8-12-18(17)26-22)24-13-16-20(27-28(3)21(16)23)15-9-5-4-6-10-15/h4-12,14,19,24H,13H2,1-3H3,(H,25,26)/t19-/m1/s1
InChIKeyCDXYVIHZRCVNJP-LJQANCHMSA-N
MW393.92 g/mol
LogP5.10
Rot. Bonds6

About (1R)-1-(1H-benzimidazol-2-yl)-N-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-2-methylpropan-1-amine

(1R)-1-(1H-benzimidazol-2-yl)-N-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-2-methylpropan-1-amine (PubChem CID 97013270) has the molecular formula C22H24ClN5 and a molecular weight of 393.92 g/mol. Its IUPAC name is (1R)-1-(1H-benzimidazol-2-yl)-N-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(1H-benzimidazol-2-yl)-N-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
PubChem CID97013270
Molecular FormulaC22H24ClN5
Molecular Weight393.92 g/mol
Exact Mass393.17
IUPAC Name(1R)-1-(1H-benzimidazol-2-yl)-N-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)[C@@H](NCc1c(-c2ccccc2)nn(C)c1Cl)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H24ClN5/c1-14(2)19(22-25-17-11-7-8-12-18(17)26-22)24-13-16-20(27-28(3)21(16)23)15-9-5-4-6-10-15/h4-12,14,19,24H,13H2,1-3H3,(H,25,26)/t19-/m1/s1
InChIKeyCDXYVIHZRCVNJP-LJQANCHMSA-N
XLogP5.10
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.92
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-benzimidazol-2-yl)-N-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-(1H-benzimidazol-2-yl)-N-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-2-methylpropan-1-amine (CID 97013270) is (1R)-1-(1H-benzimidazol-2-yl)-N-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-(1H-benzimidazol-2-yl)-N-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-(1H-benzimidazol-2-yl)-N-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-2-methylpropan-1-amine is CC(C)[C@@H](NCc1c(-c2ccccc2)nn(C)c1Cl)c1nc2ccccc2[nH]1.
What is the InChIKey of (1R)-1-(1H-benzimidazol-2-yl)-N-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is CDXYVIHZRCVNJP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24ClN5/c1-14(2)19(22-25-17-11-7-8-12-18(17)26-22)24-13-16-20(27-28(3)21(16)23)15-9-5-4-6-10-15/h4-12,14,19,24H,13H2,1-3H3,(H,25,26)/t19-/m1/s1.
What are the key properties of (1R)-1-(1H-benzimidazol-2-yl)-N-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-2-methylpropan-1-amine?
(1R)-1-(1H-benzimidazol-2-yl)-N-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 393.92 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1H-benzimidazol-2-yl)-N-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 97013270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).