N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide

C18H21N5O3 — CID 57107842

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
SMILESCOc1nc(CC(C)C)c(=O)[nH]c1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H21N5O3/c1-10(2)8-13-16(24)23-15(18(22-13)26-3)17(25)19-9-14-20-11-6-4-5-7-12(11)21-14/h4-7,10H,8-9H2,1-3H3,(H,19,25)(H,20,21)(H,23,24)
InChIKeyJDMHENKBMDVMDS-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.78
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide (PubChem CID 57107842) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
PubChem CID57107842
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
SMILESCOc1nc(CC(C)C)c(=O)[nH]c1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H21N5O3/c1-10(2)8-13-16(24)23-15(18(22-13)26-3)17(25)19-9-14-20-11-6-4-5-7-12(11)21-14/h4-7,10H,8-9H2,1-3H3,(H,19,25)(H,20,21)(H,23,24)
InChIKeyJDMHENKBMDVMDS-UHFFFAOYSA-N
XLogP1.78
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
CID 57192544
6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one
CID 56992924
2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 113220506
N-(1H-benzimidazol-2-ylmethyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 18105049
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987
N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 125432858
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 751095
N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide
CID 146022195
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 71829009

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide (CID 57107842) is N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide is COc1nc(CC(C)C)c(=O)[nH]c1C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide?
The InChIKey is JDMHENKBMDVMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-10(2)8-13-16(24)23-15(18(22-13)26-3)17(25)19-9-14-20-11-6-4-5-7-12(11)21-14/h4-7,10H,8-9H2,1-3H3,(H,19,25)(H,20,21)(H,23,24).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 57107842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).