1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide

C23H26N4O2 — CID 70008309

IUPAC1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1(N)CCC(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C23H26N4O2/c24-21(28)17-5-6-20-19(13-17)26-22(29)27(20)23(25)9-7-14(8-10-23)18-11-15-3-1-2-4-16(15)12-18/h1-6,13-14,18H,7-12,25H2,(H2,24,28)(H,26,29)
InChIKeyYCRKEQAAWCEHFW-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.65
Rot. Bonds3

About 1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 70008309) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID70008309
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1(N)CCC(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C23H26N4O2/c24-21(28)17-5-6-20-19(13-17)26-22(29)27(20)23(25)9-7-14(8-10-23)18-11-15-3-1-2-4-16(15)12-18/h1-6,13-14,18H,7-12,25H2,(H2,24,28)(H,26,29)
InChIKeyYCRKEQAAWCEHFW-UHFFFAOYSA-N
XLogP2.65
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 70008309) is 1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1(N)CCC(C2Cc3ccccc3C2)CC1.
What is the InChIKey of 1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is YCRKEQAAWCEHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c24-21(28)17-5-6-20-19(13-17)26-22(29)27(20)23(25)9-7-14(8-10-23)18-11-15-3-1-2-4-16(15)12-18/h1-6,13-14,18H,7-12,25H2,(H2,24,28)(H,26,29).
What are the key properties of 1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70008309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).