[2-amino-3-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazol-5-yl]-phenylmethanone

C19H20N4O — CID 66552724

IUPAC[2-amino-3-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazol-5-yl]-phenylmethanone
SMILESNc1nc2ccc(C(=O)c3ccccc3)cc2n1C[C@H]1CCCN1
InChIInChI=1S/C19H20N4O/c20-19-22-16-9-8-14(18(24)13-5-2-1-3-6-13)11-17(16)23(19)12-15-7-4-10-21-15/h1-3,5-6,8-9,11,15,21H,4,7,10,12H2,(H2,20,22)/t15-/m1/s1
InChIKeyTYMQXMKYIBDFQI-OAHLLOKOSA-N
MW320.40 g/mol
LogP2.60
Rot. Bonds4

About [2-amino-3-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazol-5-yl]-phenylmethanone

[2-amino-3-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazol-5-yl]-phenylmethanone (PubChem CID 66552724) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is [2-amino-3-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-3-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazol-5-yl]-phenylmethanone
PubChem CID66552724
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name[2-amino-3-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazol-5-yl]-phenylmethanone
SMILESNc1nc2ccc(C(=O)c3ccccc3)cc2n1C[C@H]1CCCN1
InChIInChI=1S/C19H20N4O/c20-19-22-16-9-8-14(18(24)13-5-2-1-3-6-13)11-17(16)23(19)12-15-7-4-10-21-15/h1-3,5-6,8-9,11,15,21H,4,7,10,12H2,(H2,20,22)/t15-/m1/s1
InChIKeyTYMQXMKYIBDFQI-OAHLLOKOSA-N
XLogP2.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazol-5-yl]-phenylmethanone?
The IUPAC name of [2-amino-3-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazol-5-yl]-phenylmethanone (CID 66552724) is [2-amino-3-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-amino-3-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-amino-3-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazol-5-yl]-phenylmethanone is Nc1nc2ccc(C(=O)c3ccccc3)cc2n1C[C@H]1CCCN1.
What is the InChIKey of [2-amino-3-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazol-5-yl]-phenylmethanone?
The InChIKey is TYMQXMKYIBDFQI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O/c20-19-22-16-9-8-14(18(24)13-5-2-1-3-6-13)11-17(16)23(19)12-15-7-4-10-21-15/h1-3,5-6,8-9,11,15,21H,4,7,10,12H2,(H2,20,22)/t15-/m1/s1.
What are the key properties of [2-amino-3-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazol-5-yl]-phenylmethanone?
[2-amino-3-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazol-5-yl]-phenylmethanone has a molecular weight of 320.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-[[(2R)-pyrrolidin-2-yl]methyl]benzimidazol-5-yl]-phenylmethanone is sourced from PubChem (CID 66552724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).