N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide

C20H19N7O2 — CID 42924364

IUPACN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(-n3cnnn3)cc2)c2nccn2C)cc1
InChIInChI=1S/C20H19N7O2/c1-26-12-11-21-19(26)18(14-5-9-17(29-2)10-6-14)23-20(28)15-3-7-16(8-4-15)27-13-22-24-25-27/h3-13,18H,1-2H3,(H,23,28)
InChIKeyKDGFLNWOADNTDU-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.92
Rot. Bonds6

About N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 42924364) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide
PubChem CID42924364
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(-n3cnnn3)cc2)c2nccn2C)cc1
InChIInChI=1S/C20H19N7O2/c1-26-12-11-21-19(26)18(14-5-9-17(29-2)10-6-14)23-20(28)15-3-7-16(8-4-15)27-13-22-24-25-27/h3-13,18H,1-2H3,(H,23,28)
InChIKeyKDGFLNWOADNTDU-UHFFFAOYSA-N
XLogP1.92
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide 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

3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
4-benzamido-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46537794
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
CID 46569284
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide
CID 51926493
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 25325592
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide
CID 110440273
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropoxy)benzamide
CID 25325512

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide (CID 42924364) is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide is COc1ccc(C(NC(=O)c2ccc(-n3cnnn3)cc2)c2nccn2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is KDGFLNWOADNTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-26-12-11-21-19(26)18(14-5-9-17(29-2)10-6-14)23-20(28)15-3-7-16(8-4-15)27-13-22-24-25-27/h3-13,18H,1-2H3,(H,23,28).
What are the key properties of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide?
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 389.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42924364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).