N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide

C26H29N5O — CID 55939941

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1C1CC1
InChIInChI=1S/C26H29N5O/c1-26(2,3)31-23(18-13-14-18)16-22(30-31)25(32)29-21(15-17-9-5-4-6-10-17)24-27-19-11-7-8-12-20(19)28-24/h4-12,16,18,21H,13-15H2,1-3H3,(H,27,28)(H,29,32)/t21-/m0/s1
InChIKeyMNHCCIDSLPSASG-NRFANRHFSA-N
MW427.55 g/mol
LogP5.11
Rot. Bonds6

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide (PubChem CID 55939941) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
PubChem CID55939941
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1C1CC1
InChIInChI=1S/C26H29N5O/c1-26(2,3)31-23(18-13-14-18)16-22(30-31)25(32)29-21(15-17-9-5-4-6-10-17)24-27-19-11-7-8-12-20(19)28-24/h4-12,16,18,21H,13-15H2,1-3H3,(H,27,28)(H,29,32)/t21-/m0/s1
InChIKeyMNHCCIDSLPSASG-NRFANRHFSA-N
XLogP5.11
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide with MolForge

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Related Compounds

1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide
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CID 3653845
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
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N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-methylsulfanylpropanamide
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N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-methylpyridine-3-carboxamide
CID 46563495
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(methylsulfonylmethyl)benzamide
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N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-nitrobenzamide
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N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide
CID 97211410
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(4-bromophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide (CID 55939941) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide is CC(C)(C)n1nc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1C1CC1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide?
The InChIKey is MNHCCIDSLPSASG-NRFANRHFSA-N. The full InChI is InChI=1S/C26H29N5O/c1-26(2,3)31-23(18-13-14-18)16-22(30-31)25(32)29-21(15-17-9-5-4-6-10-17)24-27-19-11-7-8-12-20(19)28-24/h4-12,16,18,21H,13-15H2,1-3H3,(H,27,28)(H,29,32)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide is sourced from PubChem (CID 55939941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).