N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide

C23H26N4O — CID 170948220

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
SMILESCN1CCC(c2nc3ccc(C(=O)N[C@H]4CCc5ccccc54)cc3[nH]2)CC1
InChIInChI=1S/C23H26N4O/c1-27-12-10-16(11-13-27)22-24-20-9-7-17(14-21(20)25-22)23(28)26-19-8-6-15-4-2-3-5-18(15)19/h2-5,7,9,14,16,19H,6,8,10-13H2,1H3,(H,24,25)(H,26,28)/t19-/m0/s1
InChIKeyUFYIIIRXCYQUGS-IBGZPJMESA-N
MW374.49 g/mol
LogP3.79
Rot. Bonds3

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 170948220) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
PubChem CID170948220
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
SMILESCN1CCC(c2nc3ccc(C(=O)N[C@H]4CCc5ccccc54)cc3[nH]2)CC1
InChIInChI=1S/C23H26N4O/c1-27-12-10-16(11-13-27)22-24-20-9-7-17(14-21(20)25-22)23(28)26-19-8-6-15-4-2-3-5-18(15)19/h2-5,7,9,14,16,19H,6,8,10-13H2,1H3,(H,24,25)(H,26,28)/t19-/m0/s1
InChIKeyUFYIIIRXCYQUGS-IBGZPJMESA-N
XLogP3.79
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide (CID 170948220) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide is CN1CCC(c2nc3ccc(C(=O)N[C@H]4CCc5ccccc54)cc3[nH]2)CC1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is UFYIIIRXCYQUGS-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N4O/c1-27-12-10-16(11-13-27)22-24-20-9-7-17(14-21(20)25-22)23(28)26-19-8-6-15-4-2-3-5-18(15)19/h2-5,7,9,14,16,19H,6,8,10-13H2,1H3,(H,24,25)(H,26,28)/t19-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 170948220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).