1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide

C22H21N5O2 — CID 134364221

IUPAC1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
SMILESCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1cc2ccccc2cn1
InChIInChI=1S/C22H21N5O2/c1-14-25-21-18(22(23)28)11-17(26-6-8-29-9-7-26)12-19(21)27(14)20-10-15-4-2-3-5-16(15)13-24-20/h2-5,10-13H,6-9H2,1H3,(H2,23,28)
InChIKeyRPVSBRDPVSMLSE-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.82
Rot. Bonds3

About 1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide

1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide (PubChem CID 134364221) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
PubChem CID134364221
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
SMILESCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1cc2ccccc2cn1
InChIInChI=1S/C22H21N5O2/c1-14-25-21-18(22(23)28)11-17(26-6-8-29-9-7-26)12-19(21)27(14)20-10-15-4-2-3-5-16(15)13-24-20/h2-5,10-13H,6-9H2,1H3,(H2,23,28)
InChIKeyRPVSBRDPVSMLSE-UHFFFAOYSA-N
XLogP2.82
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-morpholin-4-yl-1-naphthalen-2-ylbenzimidazole-4-carboxamide
CID 134364273
2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361790
1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134364268
1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362081
2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide
CID 134361886
1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361822
1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361785
methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134364259
N'-methanimidoyl-2-methyl-6-morpholin-4-yl-1-quinolin-3-ylbenzimidazole-4-carboximidamide
CID 142311459
2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134361760
methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134361831
6-morpholin-4-yl-1H-benzimidazole-4-carboxamide
CID 123491353

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The IUPAC name of 1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide (CID 134364221) is 1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide.
What is the SMILES notation for 1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The canonical SMILES for 1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide is Cc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1cc2ccccc2cn1.
What is the InChIKey of 1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The InChIKey is RPVSBRDPVSMLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-25-21-18(22(23)28)11-17(26-6-8-29-9-7-26)12-19(21)27(14)20-10-15-4-2-3-5-16(15)13-24-20/h2-5,10-13H,6-9H2,1H3,(H2,23,28).
What are the key properties of 1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide is sourced from PubChem (CID 134364221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).