4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide

C22H21N7O2 — CID 117082126

IUPAC4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide
SMILESCOc1nc(NCc2nc3ccccc3[nH]2)nc(-c2ccc(C(=O)NC3CC3)cc2)n1
InChIInChI=1S/C22H21N7O2/c1-31-22-28-19(13-6-8-14(9-7-13)20(30)24-15-10-11-15)27-21(29-22)23-12-18-25-16-4-2-3-5-17(16)26-18/h2-9,15H,10-12H2,1H3,(H,24,30)(H,25,26)(H,23,27,28,29)
InChIKeyWWYZTDIRPBNYRY-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.93
Rot. Bonds7

About 4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide

4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide (PubChem CID 117082126) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide
PubChem CID117082126
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide
SMILESCOc1nc(NCc2nc3ccccc3[nH]2)nc(-c2ccc(C(=O)NC3CC3)cc2)n1
InChIInChI=1S/C22H21N7O2/c1-31-22-28-19(13-6-8-14(9-7-13)20(30)24-15-10-11-15)27-21(29-22)23-12-18-25-16-4-2-3-5-17(16)26-18/h2-9,15H,10-12H2,1H3,(H,24,30)(H,25,26)(H,23,27,28,29)
InChIKeyWWYZTDIRPBNYRY-UHFFFAOYSA-N
XLogP2.93
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide with MolForge

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Related Compounds

4-[6-(1H-benzimidazol-2-ylmethylamino)-9-cyclohexylpurin-2-yl]-N-cyclopropylbenzamide
CID 117081549
N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 117092012
N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 117086818
4-[6-(1H-benzimidazol-2-ylmethylamino)-9-thiophen-3-ylpurin-2-yl]-N-cyclopropylbenzamide
CID 45115625
4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine
CID 117092679
4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide
CID 50789505
N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813649
N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide
CID 71937473
N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 71829427
N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide
CID 71035951
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide
CID 163306992

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide (CID 117082126) is 4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide is COc1nc(NCc2nc3ccccc3[nH]2)nc(-c2ccc(C(=O)NC3CC3)cc2)n1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide?
The InChIKey is WWYZTDIRPBNYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-31-22-28-19(13-6-8-14(9-7-13)20(30)24-15-10-11-15)27-21(29-22)23-12-18-25-16-4-2-3-5-17(16)26-18/h2-9,15H,10-12H2,1H3,(H,24,30)(H,25,26)(H,23,27,28,29).
What are the key properties of 4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide?
4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide has a molecular weight of 415.46 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 117082126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).