methyl 2-(ethylcarbamoylamino)-5-methoxy-6-pyridin-3-yl-1H-benzimidazole-4-carboxylate

C18H19N5O4 — CID 10090474

IUPACmethyl 2-(ethylcarbamoylamino)-5-methoxy-6-pyridin-3-yl-1H-benzimidazole-4-carboxylate
SMILESCCNC(=O)Nc1nc2c(C(=O)OC)c(OC)c(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C18H19N5O4/c1-4-20-18(25)23-17-21-12-8-11(10-6-5-7-19-9-10)15(26-2)13(14(12)22-17)16(24)27-3/h5-9H,4H2,1-3H3,(H3,20,21,22,23,25)
InChIKeyIOUZQBKLLAKWQE-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.56
Rot. Bonds5

About methyl 2-(ethylcarbamoylamino)-5-methoxy-6-pyridin-3-yl-1H-benzimidazole-4-carboxylate

methyl 2-(ethylcarbamoylamino)-5-methoxy-6-pyridin-3-yl-1H-benzimidazole-4-carboxylate (PubChem CID 10090474) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is methyl 2-(ethylcarbamoylamino)-5-methoxy-6-pyridin-3-yl-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(ethylcarbamoylamino)-5-methoxy-6-pyridin-3-yl-1H-benzimidazole-4-carboxylate
PubChem CID10090474
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Namemethyl 2-(ethylcarbamoylamino)-5-methoxy-6-pyridin-3-yl-1H-benzimidazole-4-carboxylate
SMILESCCNC(=O)Nc1nc2c(C(=O)OC)c(OC)c(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C18H19N5O4/c1-4-20-18(25)23-17-21-12-8-11(10-6-5-7-19-9-10)15(26-2)13(14(12)22-17)16(24)27-3/h5-9H,4H2,1-3H3,(H3,20,21,22,23,25)
InChIKeyIOUZQBKLLAKWQE-UHFFFAOYSA-N
XLogP2.56
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylcarbamoylamino)-5-methoxy-6-pyridin-3-yl-1H-benzimidazole-4-carboxylate?
The IUPAC name of methyl 2-(ethylcarbamoylamino)-5-methoxy-6-pyridin-3-yl-1H-benzimidazole-4-carboxylate (CID 10090474) is methyl 2-(ethylcarbamoylamino)-5-methoxy-6-pyridin-3-yl-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(ethylcarbamoylamino)-5-methoxy-6-pyridin-3-yl-1H-benzimidazole-4-carboxylate?
The canonical SMILES for methyl 2-(ethylcarbamoylamino)-5-methoxy-6-pyridin-3-yl-1H-benzimidazole-4-carboxylate is CCNC(=O)Nc1nc2c(C(=O)OC)c(OC)c(-c3cccnc3)cc2[nH]1.
What is the InChIKey of methyl 2-(ethylcarbamoylamino)-5-methoxy-6-pyridin-3-yl-1H-benzimidazole-4-carboxylate?
The InChIKey is IOUZQBKLLAKWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-4-20-18(25)23-17-21-12-8-11(10-6-5-7-19-9-10)15(26-2)13(14(12)22-17)16(24)27-3/h5-9H,4H2,1-3H3,(H3,20,21,22,23,25).
What are the key properties of methyl 2-(ethylcarbamoylamino)-5-methoxy-6-pyridin-3-yl-1H-benzimidazole-4-carboxylate?
methyl 2-(ethylcarbamoylamino)-5-methoxy-6-pyridin-3-yl-1H-benzimidazole-4-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylcarbamoylamino)-5-methoxy-6-pyridin-3-yl-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 10090474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).