N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide

C21H21N5O — CID 110204372

IUPACN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide
SMILESO=C(CCCn1cccn1)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H21N5O/c27-19(12-6-14-26-15-7-13-22-26)25-20(16-8-2-1-3-9-16)21-23-17-10-4-5-11-18(17)24-21/h1-5,7-11,13,15,20H,6,12,14H2,(H,23,24)(H,25,27)/t20-/m0/s1
InChIKeyRVBSJTOUVGOASD-FQEVSTJZSA-N
MW359.43 g/mol
LogP3.45
Rot. Bonds7

About N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide

N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide (PubChem CID 110204372) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide
PubChem CID110204372
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide
SMILESO=C(CCCn1cccn1)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H21N5O/c27-19(12-6-14-26-15-7-13-22-26)25-20(16-8-2-1-3-9-16)21-23-17-10-4-5-11-18(17)24-21/h1-5,7-11,13,15,20H,6,12,14H2,(H,23,24)(H,25,27)/t20-/m0/s1
InChIKeyRVBSJTOUVGOASD-FQEVSTJZSA-N
XLogP3.45
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-pyrazol-1-ylbutanamide
CID 71827916
N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide
CID 118986194
N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 118986181
N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide
CID 91638874
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 110204562
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide
CID 43889826
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 110205209
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide
CID 43889813
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)propanamide
CID 118986176
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 60731653
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide
CID 30157732

Frequently Asked Questions

What is the IUPAC name of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide (CID 110204372) is N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide is O=C(CCCn1cccn1)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide?
The InChIKey is RVBSJTOUVGOASD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21N5O/c27-19(12-6-14-26-15-7-13-22-26)25-20(16-8-2-1-3-9-16)21-23-17-10-4-5-11-18(17)24-21/h1-5,7-11,13,15,20H,6,12,14H2,(H,23,24)(H,25,27)/t20-/m0/s1.
What are the key properties of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide?
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide has a molecular weight of 359.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 110204372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).