4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile

C20H21N5 — CID 11716955

IUPAC4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
SMILESCc1[nH]cnc1CN1CCCCN1c1ccc(C#N)c2ccccc12
InChIInChI=1S/C20H21N5/c1-15-19(23-14-22-15)13-24-10-4-5-11-25(24)20-9-8-16(12-21)17-6-2-3-7-18(17)20/h2-3,6-9,14H,4-5,10-11,13H2,1H3,(H,22,23)
InChIKeyBXWPKZWAHZTCOU-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.76
Rot. Bonds3

About 4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile

4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile (PubChem CID 11716955) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
PubChem CID11716955
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
SMILESCc1[nH]cnc1CN1CCCCN1c1ccc(C#N)c2ccccc12
InChIInChI=1S/C20H21N5/c1-15-19(23-14-22-15)13-24-10-4-5-11-25(24)20-9-8-16(12-21)17-6-2-3-7-18(17)20/h2-3,6-9,14H,4-5,10-11,13H2,1H3,(H,22,23)
InChIKeyBXWPKZWAHZTCOU-UHFFFAOYSA-N
XLogP3.76
TPSA58.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11552230
4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile
CID 11529980
4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11661437
4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11559501
4-[2-(cyclohexylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile
CID 11559047
4-[2-[(5-ethynyl-3-pyridinyl)methyl]diazepan-1-yl]naphthalene-1-carbonitrile
CID 143284428
4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 143284429
4-[2-[[3-(1,1-difluoroethyl)phenyl]methyl]diazepan-1-yl]naphthalene-1-carbonitrile
CID 143284394
4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 143284425
4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]naphthalene-1-carbonitrile
CID 146320254
4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile
CID 69020003
4-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile
CID 10039323

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile (CID 11716955) is 4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile is Cc1[nH]cnc1CN1CCCCN1c1ccc(C#N)c2ccccc12.
What is the InChIKey of 4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile?
The InChIKey is BXWPKZWAHZTCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-15-19(23-14-22-15)13-24-10-4-5-11-25(24)20-9-8-16(12-21)17-6-2-3-7-18(17)20/h2-3,6-9,14H,4-5,10-11,13H2,1H3,(H,22,23).
What are the key properties of 4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile?
4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile has a molecular weight of 331.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 11716955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).