N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide

C20H17N5O2 — CID 31356926

IUPACN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCn1ccnc1[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C20H17N5O2/c1-25-12-11-21-18(25)16(13-7-3-2-4-8-13)22-20(27)17-14-9-5-6-10-15(14)19(26)24-23-17/h2-12,16H,1H3,(H,22,27)(H,24,26)/t16-/m1/s1
InChIKeyPLQYSSOJMQXUPU-MRXNPFEDSA-N
MW359.39 g/mol
LogP2.18
Rot. Bonds4

About N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 31356926) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID31356926
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCn1ccnc1[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C20H17N5O2/c1-25-12-11-21-18(25)16(13-7-3-2-4-8-13)22-20(27)17-14-9-5-6-10-15(14)19(26)24-23-17/h2-12,16H,1H3,(H,22,27)(H,24,26)/t16-/m1/s1
InChIKeyPLQYSSOJMQXUPU-MRXNPFEDSA-N
XLogP2.18
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide
CID 42924153
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25334274
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-naphthalen-1-yloxyacetamide
CID 17446536
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 47015012
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide
CID 51926493
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide
CID 90651379
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 31356926) is N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide is Cn1ccnc1[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is PLQYSSOJMQXUPU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-25-12-11-21-18(25)16(13-7-3-2-4-8-13)22-20(27)17-14-9-5-6-10-15(14)19(26)24-23-17/h2-12,16H,1H3,(H,22,27)(H,24,26)/t16-/m1/s1.
What are the key properties of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 31356926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).