N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

C21H25N5O — CID 118788666

IUPACN-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCn1ccnc1C(NC(=O)CCc1n[nH]c2c1CCCC2)c1ccccc1
InChIInChI=1S/C21H25N5O/c1-26-14-13-22-21(26)20(15-7-3-2-4-8-15)23-19(27)12-11-18-16-9-5-6-10-17(16)24-25-18/h2-4,7-8,13-14,20H,5-6,9-12H2,1H3,(H,23,27)(H,24,25)
InChIKeyYFLUQZHGXAWLCF-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.86
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 118788666) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID118788666
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESCn1ccnc1C(NC(=O)CCc1n[nH]c2c1CCCC2)c1ccccc1
InChIInChI=1S/C21H25N5O/c1-26-14-13-22-21(26)20(15-7-3-2-4-8-15)23-19(27)12-11-18-16-9-5-6-10-17(16)24-25-18/h2-4,7-8,13-14,20H,5-6,9-12H2,1H3,(H,23,27)(H,24,25)
InChIKeyYFLUQZHGXAWLCF-UHFFFAOYSA-N
XLogP2.86
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide with MolForge

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Related Compounds

3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylpropanamide
CID 52521676
4-(azepan-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 90652611
N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide
CID 46650550
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
4-(4-bromophenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 31357215
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 18102285
3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 55447782

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 118788666) is N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is Cn1ccnc1C(NC(=O)CCc1n[nH]c2c1CCCC2)c1ccccc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is YFLUQZHGXAWLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-26-14-13-22-21(26)20(15-7-3-2-4-8-15)23-19(27)12-11-18-16-9-5-6-10-17(16)24-25-18/h2-4,7-8,13-14,20H,5-6,9-12H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 363.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 118788666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).