N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide

C18H23N5O — CID 94613997

IUPACN-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCC[C@H](C)[C@@H](NC(=O)Cn1cc(C)cn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H23N5O/c1-4-13(3)17(18-20-14-7-5-6-8-15(14)21-18)22-16(24)11-23-10-12(2)9-19-23/h5-10,13,17H,4,11H2,1-3H3,(H,20,21)(H,22,24)/t13-,17+/m0/s1
InChIKeyIVEIBVYQZUNAHX-SUMWQHHRSA-N
MW325.42 g/mol
LogP2.97
Rot. Bonds6

About N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide

N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 94613997) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID94613997
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCC[C@H](C)[C@@H](NC(=O)Cn1cc(C)cn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H23N5O/c1-4-13(3)17(18-20-14-7-5-6-8-15(14)21-18)22-16(24)11-23-10-12(2)9-19-23/h5-10,13,17H,4,11H2,1-3H3,(H,20,21)(H,22,24)/t13-,17+/m0/s1
InChIKeyIVEIBVYQZUNAHX-SUMWQHHRSA-N
XLogP2.97
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 51091867
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-morpholin-4-ylacetamide
CID 97341345
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,3,3-trifluoropropanamide
CID 95155727
ethyl N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-oxopropyl]carbamate
CID 51087826
2-[2-[[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 51960117
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 55877967
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(cyanomethylsulfanyl)acetamide
CID 94613958
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide
CID 55862665
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55814528
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide
CID 55812701
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 91823107

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide (CID 94613997) is N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide is CC[C@H](C)[C@@H](NC(=O)Cn1cc(C)cn1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is IVEIBVYQZUNAHX-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H23N5O/c1-4-13(3)17(18-20-14-7-5-6-8-15(14)21-18)22-16(24)11-23-10-12(2)9-19-23/h5-10,13,17H,4,11H2,1-3H3,(H,20,21)(H,22,24)/t13-,17+/m0/s1.
What are the key properties of N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 325.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 94613997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).