3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide

C24H22N6O2 — CID 44563190

IUPAC3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESNc1nccc(-c2ccc3nc(C4COc5ccc(C(=O)NC6CC6)cc5C4)[nH]c3c2)n1
InChIInChI=1S/C24H22N6O2/c25-24-26-8-7-18(30-24)13-1-5-19-20(11-13)29-22(28-19)16-10-15-9-14(2-6-21(15)32-12-16)23(31)27-17-3-4-17/h1-2,5-9,11,16-17H,3-4,10,12H2,(H,27,31)(H,28,29)(H2,25,26,30)
InChIKeyVILQJQQODSKEFD-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.21
Rot. Bonds4

About 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide

3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 44563190) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound Name3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID44563190
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESNc1nccc(-c2ccc3nc(C4COc5ccc(C(=O)NC6CC6)cc5C4)[nH]c3c2)n1
InChIInChI=1S/C24H22N6O2/c25-24-26-8-7-18(30-24)13-1-5-19-20(11-13)29-22(28-19)16-10-15-9-14(2-6-21(15)32-12-16)23(31)27-17-3-4-17/h1-2,5-9,11,16-17H,3-4,10,12H2,(H,27,31)(H,28,29)(H2,25,26,30)
InChIKeyVILQJQQODSKEFD-UHFFFAOYSA-N
XLogP3.21
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide with MolForge

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Related Compounds

Amg 579
CID 59351313
N-[5-(1H-Imidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
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1h-Benzimidazol-2-Yl(4-{[3-(Tetrahydro-2h-Pyran-4-Yl)pyridin-2-Yl]oxy}phenyl)methanone
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2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
4-(7-fluoro-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzo[d]imidazol-5-yl)pyrimidin-2-amine
CID 44129168
3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)-N-benzylchroman-6-carboxamide
CID 44563191
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881514
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881516
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881563
1-[3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59326903
1-[4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59327006

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide (CID 44563190) is 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide is Nc1nccc(-c2ccc3nc(C4COc5ccc(C(=O)NC6CC6)cc5C4)[nH]c3c2)n1.
What is the InChIKey of 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is VILQJQQODSKEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c25-24-26-8-7-18(30-24)13-1-5-19-20(11-13)29-22(28-19)16-10-15-9-14(2-6-21(15)32-12-16)23(31)27-17-3-4-17/h1-2,5-9,11,16-17H,3-4,10,12H2,(H,27,31)(H,28,29)(H2,25,26,30).
What are the key properties of 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide?
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 44563190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).