(2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide

C18H25N5O2 — CID 56701462

IUPAC(2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cccc2[nH]c(C)nc12
InChIInChI=1S/C18H25N5O2/c1-4-22(5-2)18(25)15-9-12(19)10-23(15)17(24)13-7-6-8-14-16(13)21-11(3)20-14/h6-8,12,15H,4-5,9-10,19H2,1-3H3,(H,20,21)/t12-,15-/m0/s1
InChIKeyJYMQWMBIVJUECM-WFASDCNBSA-N
MW343.43 g/mol
LogP1.28
Rot. Bonds4

About (2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56701462) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56701462
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cccc2[nH]c(C)nc12
InChIInChI=1S/C18H25N5O2/c1-4-22(5-2)18(25)15-9-12(19)10-23(15)17(24)13-7-6-8-14-16(13)21-11(3)20-14/h6-8,12,15H,4-5,9-10,19H2,1-3H3,(H,20,21)/t12-,15-/m0/s1
InChIKeyJYMQWMBIVJUECM-WFASDCNBSA-N
XLogP1.28
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide (CID 56701462) is (2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cccc2[nH]c(C)nc12.
What is the InChIKey of (2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is JYMQWMBIVJUECM-WFASDCNBSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-22(5-2)18(25)15-9-12(19)10-23(15)17(24)13-7-6-8-14-16(13)21-11(3)20-14/h6-8,12,15H,4-5,9-10,19H2,1-3H3,(H,20,21)/t12-,15-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N,N-diethyl-1-(2-methyl-1H-benzimidazole-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56701462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).