(3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide

C24H20N4O — CID 125123430

IUPAC(3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
SMILESO=C(C[C@H](c1cccc2ccccc12)n1cccc1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C24H20N4O/c29-24(27-18-10-11-21-22(14-18)26-16-25-21)15-23(28-12-3-4-13-28)20-9-5-7-17-6-1-2-8-19(17)20/h1-14,16,23H,15H2,(H,25,26)(H,27,29)/t23-/m1/s1
InChIKeyBFGJBDAFUUBGAK-HSZRJFAPSA-N
MW380.45 g/mol
LogP5.14
Rot. Bonds5

About (3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide

(3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide (PubChem CID 125123430) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is (3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
PubChem CID125123430
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name(3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
SMILESO=C(C[C@H](c1cccc2ccccc12)n1cccc1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C24H20N4O/c29-24(27-18-10-11-21-22(14-18)26-16-25-21)15-23(28-12-3-4-13-28)20-9-5-7-17-6-1-2-8-19(17)20/h1-14,16,23H,15H2,(H,25,26)(H,27,29)/t23-/m1/s1
InChIKeyBFGJBDAFUUBGAK-HSZRJFAPSA-N
XLogP5.14
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide (CID 125123430) is (3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide is O=C(C[C@H](c1cccc2ccccc12)n1cccc1)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of (3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide?
The InChIKey is BFGJBDAFUUBGAK-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H20N4O/c29-24(27-18-10-11-21-22(14-18)26-16-25-21)15-23(28-12-3-4-13-28)20-9-5-7-17-6-1-2-8-19(17)20/h1-14,16,23H,15H2,(H,25,26)(H,27,29)/t23-/m1/s1.
What are the key properties of (3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide?
(3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide has a molecular weight of 380.45 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 125123430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).