N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide

C18H20N4O3 — CID 154765059

IUPACN-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide
SMILESCn1c(C(C)(C)NC(=O)c2noc3c2COCC3)nc2ccccc21
InChIInChI=1S/C18H20N4O3/c1-18(2,17-19-12-6-4-5-7-13(12)22(17)3)20-16(23)15-11-10-24-9-8-14(11)25-21-15/h4-7H,8-10H2,1-3H3,(H,20,23)
InChIKeyBIHHLGSOSHRRCM-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.30
Rot. Bonds3

About N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide

N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 154765059) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID154765059
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide
SMILESCn1c(C(C)(C)NC(=O)c2noc3c2COCC3)nc2ccccc21
InChIInChI=1S/C18H20N4O3/c1-18(2,17-19-12-6-4-5-7-13(12)22(17)3)20-16(23)15-11-10-24-9-8-14(11)25-21-15/h4-7H,8-10H2,1-3H3,(H,20,23)
InChIKeyBIHHLGSOSHRRCM-UHFFFAOYSA-N
XLogP2.30
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2-phenylsulfanylcyclopentene-1-carboxamide
CID 132574362
N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2,6-bis(phenylsulfanyl)benzamide
CID 132574356
3-[[2-(1-methylbenzimidazol-2-yl)propan-2-ylamino]methyl]benzoic acid
CID 122032985
6-[(1-methylbenzimidazol-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133383519
(2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide
CID 35280653
methyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762789
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83841073
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 37053168
3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide
CID 139382529
1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)-3-(2-methylquinolin-4-yl)urea
CID 154770302
1-methyl-3-morpholin-4-ylquinoxalin-2-one
CID 146169023
1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171994514

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide (CID 154765059) is N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide is Cn1c(C(C)(C)NC(=O)c2noc3c2COCC3)nc2ccccc21.
What is the InChIKey of N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is BIHHLGSOSHRRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-18(2,17-19-12-6-4-5-7-13(12)22(17)3)20-16(23)15-11-10-24-9-8-14(11)25-21-15/h4-7H,8-10H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide?
N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 154765059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).