1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide

C19H23FN6O2 — CID 155126870

IUPAC1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide
SMILESCOc1cc(C(=O)NCCF)c2ncn(Cc3ncnc(N(C)C)c3C)c2c1
InChIInChI=1S/C19H23FN6O2/c1-12-15(22-10-23-18(12)25(2)3)9-26-11-24-17-14(19(27)21-6-5-20)7-13(28-4)8-16(17)26/h7-8,10-11H,5-6,9H2,1-4H3,(H,21,27)
InChIKeyIFCRCMQRVAROBG-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.96
Rot. Bonds7

About 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide

1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide (PubChem CID 155126870) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide
PubChem CID155126870
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC Name1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide
SMILESCOc1cc(C(=O)NCCF)c2ncn(Cc3ncnc(N(C)C)c3C)c2c1
InChIInChI=1S/C19H23FN6O2/c1-12-15(22-10-23-18(12)25(2)3)9-26-11-24-17-14(19(27)21-6-5-20)7-13(28-4)8-16(17)26/h7-8,10-11H,5-6,9H2,1-4H3,(H,21,27)
InChIKeyIFCRCMQRVAROBG-UHFFFAOYSA-N
XLogP1.96
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-{[2-(Dimethylamino)ethyl]amino}-8-Methoxy-6h-Imidazo[4,5,1-De]acridin-6-One
CID 11681568
10-[2-(Diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 367850
WH2PZ15Ppn
CID 438550
N-methyl-4-[(2-{methyl[2-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040937
1-Methyl-2-[3-(trifluoromethyl)phenylamino]-5-[2-(methylcarbamoyl)-4-pyridinyloxy]-1H-benzoimidazole
CID 22040941
N-methyl-4-[(2-{methyl[4-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22041171
8-(1H-benzimidazole-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376211
10-[2-(Dimethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 15680107
[1-(3-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 71307820
N-(2-fluoroethyl)-6-methoxy-1-[(6-methoxy-5-methyl-pyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467157
N-(2,2-difluoroethyl)-6-methoxy-1-[(6-methoxy-5-methyl-pyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467158
1-[[6-(dimethylamino)-5-methyl-pyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxy-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467160

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide?
The IUPAC name of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide (CID 155126870) is 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide.
What is the SMILES notation for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide?
The canonical SMILES for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide is COc1cc(C(=O)NCCF)c2ncn(Cc3ncnc(N(C)C)c3C)c2c1.
What is the InChIKey of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide?
The InChIKey is IFCRCMQRVAROBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-12-15(22-10-23-18(12)25(2)3)9-26-11-24-17-14(19(27)21-6-5-20)7-13(28-4)8-16(17)26/h7-8,10-11H,5-6,9H2,1-4H3,(H,21,27).
What are the key properties of 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide?
1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxybenzimidazole-4-carboxamide is sourced from PubChem (CID 155126870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).