N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide

C20H24N6O — CID 97121248

IUPACN-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(CC(=O)N[C@@H]3CCCc4nc(N(C)C)ncc43)cc2[nH]1
InChIInChI=1S/C20H24N6O/c1-12-22-17-8-7-13(9-18(17)23-12)10-19(27)24-15-5-4-6-16-14(15)11-21-20(25-16)26(2)3/h7-9,11,15H,4-6,10H2,1-3H3,(H,22,23)(H,24,27)/t15-/m1/s1
InChIKeyASSQKGXOAJHHPN-OAHLLOKOSA-N
MW364.45 g/mol
LogP2.46
Rot. Bonds4

About N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide

N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 97121248) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
PubChem CID97121248
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(CC(=O)N[C@@H]3CCCc4nc(N(C)C)ncc43)cc2[nH]1
InChIInChI=1S/C20H24N6O/c1-12-22-17-8-7-13(9-18(17)23-12)10-19(27)24-15-5-4-6-16-14(15)11-21-20(25-16)26(2)3/h7-9,11,15H,4-6,10H2,1-3H3,(H,22,23)(H,24,27)/t15-/m1/s1
InChIKeyASSQKGXOAJHHPN-OAHLLOKOSA-N
XLogP2.46
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methoxyacetamide
CID 45187910
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide
CID 72861433
2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 71689758
N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 42453782
N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 42453777
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 42473455
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide
CID 72875985
(5R)-5-N-cyclopentyl-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 25379086
N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide
CID 97152386
1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea
CID 110775448
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72874872

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide (CID 97121248) is N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide is Cc1nc2ccc(CC(=O)N[C@@H]3CCCc4nc(N(C)C)ncc43)cc2[nH]1.
What is the InChIKey of N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is ASSQKGXOAJHHPN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N6O/c1-12-22-17-8-7-13(9-18(17)23-12)10-19(27)24-15-5-4-6-16-14(15)11-21-20(25-16)26(2)3/h7-9,11,15H,4-6,10H2,1-3H3,(H,22,23)(H,24,27)/t15-/m1/s1.
What are the key properties of N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 97121248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).