3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide

C20H27N5O — CID 126448508

IUPAC3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide
SMILESCc1cc(C)n(C[C@H](C)NC(=O)CCc2nc3cc(C)c(C)cc3[nH]2)n1
InChIInChI=1S/C20H27N5O/c1-12-8-17-18(9-13(12)2)23-19(22-17)6-7-20(26)21-15(4)11-25-16(5)10-14(3)24-25/h8-10,15H,6-7,11H2,1-5H3,(H,21,26)(H,22,23)/t15-/m0/s1
InChIKeyGTHLQIYSSHKCIT-HNNXBMFYSA-N
MW353.47 g/mol
LogP3.13
Rot. Bonds6

About 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide (PubChem CID 126448508) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide
PubChem CID126448508
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide
SMILESCc1cc(C)n(C[C@H](C)NC(=O)CCc2nc3cc(C)c(C)cc3[nH]2)n1
InChIInChI=1S/C20H27N5O/c1-12-8-17-18(9-13(12)2)23-19(22-17)6-7-20(26)21-15(4)11-25-16(5)10-14(3)24-25/h8-10,15H,6-7,11H2,1-5H3,(H,21,26)(H,22,23)/t15-/m0/s1
InChIKeyGTHLQIYSSHKCIT-HNNXBMFYSA-N
XLogP3.13
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95229565
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide
CID 118782087
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95197634
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide
CID 126423550
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 118767754
4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol
CID 79200644
3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 135101692
1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 51852027
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 157012975
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
CID 135091789

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide?
The IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide (CID 126448508) is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide is Cc1cc(C)n(C[C@H](C)NC(=O)CCc2nc3cc(C)c(C)cc3[nH]2)n1.
What is the InChIKey of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide?
The InChIKey is GTHLQIYSSHKCIT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-12-8-17-18(9-13(12)2)23-19(22-17)6-7-20(26)21-15(4)11-25-16(5)10-14(3)24-25/h8-10,15H,6-7,11H2,1-5H3,(H,21,26)(H,22,23)/t15-/m0/s1.
What are the key properties of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide?
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide is sourced from PubChem (CID 126448508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).